3-methyl-2-(3-methylbutyl)-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(4-methyl-1-piperazin-4-iumyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H30N5+ MolecularWeight: 376.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CC[NH+](CC4)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CC[NH+](CC4)C)C#N

InChI

InChI=1S/C23H29N5/c1-16(2)9-10-18-17(3)19(15-24)22-25-20-7-5-6-8-21(20)28(22)23(18)27-13-11-26(4)12-14-27/h5-8,16H,9-14H2,1-4H3/p+1