1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCOC5=CC=CC=C5)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCOC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H29N5O/c1-2-8-21-19-26(32-25-12-7-6-11-24(25)29-27(32)23(21)20-28)31-15-13-30(14-16-31)17-18-33-22-9-4-3-5-10-22/h3-7,9-12,19H,2,8,13-18H2,1H3/p+1