2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; ethanoic acid

Systemtic Name: 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; ethanoic acid Openeye Name: acetic acid; 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol CAS Name: acetic acid; 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol IUPAC Name: acetic acid; 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol Traditional Name: acetic acid; 2-(2-diethylaminoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)O)C.CC(=O)O

Isomeric SMILES

CCN(CC)CC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)O)C.CC(=O)O

InChI

InChI=1S/C23H27N3O.C2H4O2/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;1-2(3)4/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H3,(H,3,4)/p+1