4-[5,6-dimethoxy-3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]aniline

Systemtic Name: 4-[5,6-dimethoxy-3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]aniline Openeye Name: 4-(3-benzyl-5,6-dimethoxy-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-[5,6-dimethoxy-3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]aniline IUPAC Name: 4-(3-benzyl-5,6-dimethoxy-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(3-benzyl-5,6-dimethoxy-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)N)OC

InChI

InChI=1S/C22H21N3O2/c1-26-20-12-18-19(13-21(20)27-2)25(14-15-6-4-3-5-7-15)22(24-18)16-8-10-17(23)11-9-16/h3-13H,14H2,1-2H3,(H2,23,24)/p+1