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

Systemtic Name: 3-methyl-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCOC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CCOC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H25N5O/c1-19-17-24(30-23-10-6-5-9-22(23)27-25(30)21(19)18-26)29-13-11-28(12-14-29)15-16-31-20-7-3-2-4-8-20/h2-10,17H,11-16H2,1H3/p+1