1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]piperidin-3-ol

Systemtic Name: 1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]piperidin-3-ol Openeye Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]piperidin-3-ol CAS Name: 1-[4-[(5-amino-1,3-dimethyl-2-benzimidazol-1-iumyl)azo]phenyl]-3-piperidinol IUPAC Name: 1-[4-[(5-amino-1,3-dimethylbenzimidazol-1-ium-2-yl)diazenyl]phenyl]piperidin-3-ol Traditional Name: 1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]piperidin-3-ol Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N)[N+](=C1N=NC3=CC=C(C=C3)N4CCCC(C4)O)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)N)[N+](=C1N=NC3=CC=C(C=C3)N4CCCC(C4)O)C

InChI

InChI=1S/C20H25N6O/c1-24-18-10-5-14(21)12-19(18)25(2)20(24)23-22-15-6-8-16(9-7-15)26-11-3-4-17(27)13-26/h5-10,12,17,27H,3-4,11,13,21H2,1-2H3/q+1