(Q27125634)

3-hydroxyquininium cation (English)

6 October 2016

chemical formula

C₂₀H₂₅N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[NH+]3CC4(C=C)O)O

1 reference

3-hydroxyquininium cation (English)

6 October 2016

isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[NH+]3C[C@@]4(C=C)O)O

1 reference

3-hydroxyquininium cation (English)

InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/p+1/t13-,18-,19+,20+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

3-hydroxyquininium cation (English)

BSRUJCFCZKMFMB-YGHPHNMRSA-O

6 October 2016

InChIKey

2 references

3-hydroxyquininium cation (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8alpha,9R)-3,9-Dihydroxy-6'-methoxycinchonan-1-ium (English)

6 October 2016

1 reference

3-hydroxyquininium cation (English)

6 October 2016

ChEBI ID

58234

mapping relation type

1 reference