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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(2-methyl-1-imidazolyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H24N5+ MolecularWeight: 358.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4C=CN=C4C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4C=CN=C4C)C#N

InChI

InChI=1S/C22H23N5/c1-14(2)9-10-17-15(3)18(13-23)21-25-19-7-5-6-8-20(19)27(21)22(17)26-12-11-24-16(26)4/h5-8,11-12,14H,9-10H2,1-4H3/p+1