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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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