3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]propan-1-ol

Systemtic Name: 3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]propan-1-ol Openeye Name: 3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]propan-1-ol CAS Name: 3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]-1-propanol IUPAC Name: 3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]propan-1-ol Traditional Name: 3-[2-(4-aminophenyl)-5,6-dimethoxy-3H-benzimidazol-1-ium-1-yl]propan-1-ol Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=[N+]2CCCO)C3=CC=C(C=C3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=[N+]2CCCO)C3=CC=C(C=C3)N)OC

InChI

InChI=1S/C18H21N3O3/c1-23-16-10-14-15(11-17(16)24-2)21(8-3-9-22)18(20-14)12-4-6-13(19)7-5-12/h4-7,10-11,22H,3,8-9H2,1-2H3,(H2,19,20)/p+1