(Q104213727)

English

benzalkonium bromide

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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chemical formula

C₂₁H₃₈BrN

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

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KHSLHYAUZSPBIU-UHFFFAOYSA-M

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KHSLHYAUZSPBIU-UHFFFAOYSA-M

0 references

0 references

1 reference

matched by identifier from

KHSLHYAUZSPBIU-UHFFFAOYSA-M

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