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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)CCO)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)CCO)C#N

InChI

InChI=1S/C22H25N5O/c1-3-6-17-16(2)18(15-23)21-24-19-7-4-5-8-20(19)27(21)22(17)26-11-9-25(10-12-26)13-14-28/h3-5,7-8,28H,1,6,9-14H2,2H3/p+1