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

Systemtic Name: [1-[4-[(5-azanyl-1,3-dimethyl-benzimidazol-1-ium-2-yl)diazenyl]phenyl]piperidin-3-yl]methanol Openeye Name: [1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]-3-piperidyl]methanol CAS Name: [1-[4-[(5-amino-1,3-dimethyl-2-benzimidazol-1-iumyl)azo]phenyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-[(5-amino-1,3-dimethylbenzimidazol-1-ium-2-yl)diazenyl]phenyl]piperidin-3-yl]methanol Traditional Name: [1-[4-(5-amino-1,3-dimethyl-benzimidazol-1-ium-2-yl)azophenyl]-3-piperidyl]methanol Formula: C21H27N6O+ MolecularWeight: 379.47868

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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)CO)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N6O/c1-25-19-10-5-16(22)12-20(19)26(2)21(25)24-23-17-6-8-18(9-7-17)27-11-3-4-15(13-27)14-28/h5-10,12,15,28H,3-4,11,13-14,22H2,1-2H3/q+1