2-methyl-1-(4-methylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide

Systemtic Name: 2-methyl-1-(4-methylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide Openeye Name: 2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-1-(p-tolyl)pyrrole-3-carboxamide CAS Name: 2-methyl-1-(4-methylphenyl)-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-(4-methylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide Traditional Name: 2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)-1-(p-tolyl)pyrrole-3-carboxamide Formula: C26H32N3O+ MolecularWeight: 402.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=C2C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=C2C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4)C

InChI

InChI=1S/C26H31N3O/c1-20-11-13-23(14-12-20)29-21(2)24(19-25(29)22-9-5-3-6-10-22)26(30)27-15-18-28-16-7-4-8-17-28/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,27,30)/p+1