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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-isopentyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-2-(3-methylbutyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-isoamyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-17(2)8-9-19-18(3)20(16-25)23-26-21-6-4-5-7-22(21)29(23)24(19)28-12-10-27(11-13-28)14-15-30/h4-7,17,30H,8-15H2,1-3H3/p+1