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

Systemtic Name: 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-ethyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-ethyl-3-methyl-1-(4-p-anisylpiperazin-4-ium-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H31N5O+2 MolecularWeight: 441.56794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-4-22-19(2)23(17-28)26-29-24-7-5-6-8-25(24)32(26)27(22)31-15-13-30(14-16-31)18-20-9-11-21(33-3)12-10-20/h5-12H,4,13-16,18H2,1-3H3/p+2