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

Systemtic Name: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H30N5+ MolecularWeight: 436.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)CC(=C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5CC[NH+](CC5)CC(=C)C)C#N

InChI

InChI=1S/C28H29N5/c1-20(2)19-31-13-15-32(16-14-31)28-23(17-22-9-5-4-6-10-22)21(3)24(18-29)27-30-25-11-7-8-12-26(25)33(27)28/h4-12H,1,13-17,19H2,2-3H3/p+1