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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H38N5O+ MolecularWeight: 448.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCO

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C27H37N5O/c1-3-4-5-6-7-8-11-22-21(2)23(20-28)26-29-24-12-9-10-13-25(24)32(26)27(22)31-16-14-30(15-17-31)18-19-33/h9-10,12-13,33H,3-8,11,14-19H2,1-2H3/p+1