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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-isopropyl-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:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5/c1-19(2)21-16-25(30-14-12-29(13-15-30)18-20-8-4-3-5-9-20)31-24-11-7-6-10-23(24)28-26(31)22(21)17-27/h3-11,16,19H,12-15,18H2,1-2H3/p+2