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

Systemtic Name: 2-(2-cyanoethyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-cyanoethyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-cyanoethyl)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-cyanoethyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-cyanoethyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H25N6O+ MolecularWeight: 389.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O/c1-16-17(5-4-8-23)22(27-11-9-26(10-12-27)13-14-29)28-20-7-3-2-6-19(20)25-21(28)18(16)15-24/h2-3,6-7,29H,4-5,9-14H2,1H3/p+1