2-ethyl-3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 2-ethyl-3-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-ethyl-3-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H29N5+2 MolecularWeight: 411.54196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5/c1-3-21-19(2)22(17-27)25-28-23-11-7-8-12-24(23)31(25)26(21)30-15-13-29(14-16-30)18-20-9-5-4-6-10-20/h4-12H,3,13-16,18H2,1-2H3/p+2