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

Systemtic Name: 4-[5,6-dimethyl-3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]aniline Openeye Name: 4-(3-benzyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline CAS Name: 4-[5,6-dimethyl-3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]aniline IUPAC Name: 4-(3-benzyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)aniline Traditional Name: [4-(3-benzyl-5,6-dimethyl-1H-benzimidazol-3-ium-2-yl)phenyl]amine Formula: C22H22N3+ MolecularWeight: 328.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3/c1-15-12-20-21(13-16(15)2)25(14-17-6-4-3-5-7-17)22(24-20)18-8-10-19(23)11-9-18/h3-13H,14H2,1-2H3,(H2,23,24)/p+1