(3R)-3-acetamido-3-(4-methylphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (3R)-3-acetamido-3-(4-methylphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (3R)-3-acetamido-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(p-tolyl)propanamide CAS Name: (3R)-3-acetamido-3-(4-methylphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (3R)-3-acetamido-3-(4-methylphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (3R)-3-acetamido-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(p-tolyl)propionamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)NC(=O)C

InChI

InChI=1S/C25H33N3O2/c1-19-6-12-23(13-7-19)24(27-20(2)29)16-25(30)26-17-21-8-10-22(11-9-21)18-28-14-4-3-5-15-28/h6-13,24H,3-5,14-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t24-/m1/s1