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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(pentylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(pentylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(pentylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(pentylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(amylamino)-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H31N4+ MolecularWeight: 363.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC(C)C

Isomeric SMILES

CCCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC(C)C

InChI

InChI=1S/C23H30N4/c1-5-6-9-14-25-22-18(13-12-16(2)3)17(4)19(15-24)23-26-20-10-7-8-11-21(20)27(22)23/h7-8,10-11,16H,5-6,9,12-14H2,1-4H3,(H,25,26)/p+1