1-imidazol-1-yl-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-imidazol-1-yl-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-imidazol-1-yl-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(1-imidazolyl)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-imidazol-1-yl-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-imidazol-1-yl-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4C=CN=C4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4C=CN=C4)C#N

InChI

InChI=1S/C21H21N5/c1-14(2)8-9-16-15(3)17(12-22)20-24-18-6-4-5-7-19(18)26(20)21(16)25-11-10-23-13-25/h4-7,10-11,13-14H,8-9H2,1-3H3/p+1