3-[4-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanenitrile

Systemtic Name: 3-[4-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanenitrile Openeye Name: 3-(3-benzyl-4-methyl-benzimidazol-3-ium-1-yl)butanenitrile CAS Name: 3-[4-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]butanenitrile IUPAC Name: 3-(3-benzyl-4-methylbenzimidazol-3-ium-1-yl)butanenitrile Traditional Name: 3-(3-benzyl-4-methyl-benzimidazol-3-ium-1-yl)butyronitrile Formula: C19H20N3+ MolecularWeight: 290.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=[N+]2CC3=CC=CC=C3)C(C)CC#N

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=[N+]2CC3=CC=CC=C3)C(C)CC#N

InChI

InChI=1S/C19H20N3/c1-15-7-6-10-18-19(15)21(13-17-8-4-3-5-9-17)14-22(18)16(2)11-12-20/h3-10,14,16H,11,13H2,1-2H3/q+1