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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCOC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCOC5=CC=C(C=C5)C

InChI

InChI=1S/C28H31N5O/c1-4-23-21(3)24(19-29)27-30-25-7-5-6-8-26(25)33(27)28(23)32-15-13-31(14-16-32)17-18-34-22-11-9-20(2)10-12-22/h5-12H,4,13-18H2,1-3H3/p+1