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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C

Isomeric SMILES

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H29N5/c1-4-5-6-9-18-17(2)19(16-24)22-25-20-10-7-8-11-21(20)28(22)23(18)27-14-12-26(3)13-15-27/h7-8,10-11H,4-6,9,12-15H2,1-3H3/p+1