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

Systemtic Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O/c1-3-6-22-19-27(33-26-8-5-4-7-25(26)30-28(33)24(22)20-29)32-15-13-31(14-16-32)17-18-34-23-11-9-21(2)10-12-23/h4-5,7-12,19H,3,6,13-18H2,1-2H3/p+1