3-methyl-1-(3-methylbutylamino)-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-(3-methylbutylamino)-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-allyl-1-(isopentylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(3-methylbutylamino)-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-(3-methylbutylamino)-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-allyl-1-(isoamylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC=C)NCCC(C)C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC=C)NCCC(C)C)C#N

InChI

InChI=1S/C21H24N4/c1-5-8-16-15(4)17(13-22)21-24-18-9-6-7-10-19(18)25(21)20(16)23-12-11-14(2)3/h5-7,9-10,14H,1,8,11-12H2,2-4H3,(H,23,24)/p+1