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

Systemtic Name: 1-(butylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-allyl-1-(butylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(butylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(butylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-allyl-1-(butylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

Isomeric SMILES

CCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

InChI

InChI=1S/C20H22N4/c1-4-6-12-22-19-15(9-5-2)14(3)16(13-21)20-23-17-10-7-8-11-18(17)24(19)20/h5,7-8,10-11H,2,4,6,9,12H2,1,3H3,(H,22,23)/p+1