(Q27147216)

CHEBI:77618 (English)

8 October 2016

chemical formula

C₁₉H₂₅N₂O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC1C2CC3C4C5(CC(C2C5O)[NH+]3C1O)C6=CC=CC=C6N4

1 reference

CHEBI:77618 (English)

8 October 2016

isomeric SMILES

CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(CC([C@H]2[C@H]5O)[NH+]3[C@@H]1O)C6=CC=CC=C6N4

1 reference

CHEBI:77618 (English)

InChI=1S/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/p+1/t9-,10-,13-,14?,15-,16-,17+,18+,19+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:77618 (English)

HIOAYNMZFIHQNS-WGSNPMNHSA-O

8 October 2016

InChIKey

2 references

CHEBI:77618 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2beta,7beta,17R,20beta,21alpha)-17,21-Dihydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-4-ium (English)

8 October 2016

1 reference

CHEBI:77618 (English)

8 October 2016

ChEBI ID

77618

mapping relation type

1 reference