N'-(2-methylpropyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2-methylpropyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-isobutyl-oxamide CAS Name: N'-(2-methylpropyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylpropyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-isobutyl-oxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2/c1-15(2)12-20-18(23)19(24)21-13-16-8-10-22(11-9-16)14-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,23)(H,21,24)/p+1