1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC(=C)C)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC(=C)C)C#N

InChI

InChI=1S/C23H27N5/c1-4-7-18-14-22(27-12-10-26(11-13-27)16-17(2)3)28-21-9-6-5-8-20(21)25-23(28)19(18)15-24/h5-6,8-9,14H,2,4,7,10-13,16H2,1,3H3/p+1