N-methyl-1-[2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-methyl-1-[2-oxo-2-[phenethyl(2-thienylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-methyl-1-[2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[phenethyl(2-thenyl)amino]ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-23-22(27)19-10-12-24(13-11-19)17-21(26)25(16-20-8-5-15-28-20)14-9-18-6-3-2-4-7-18/h2-8,15,19H,9-14,16-17H2,1H3,(H,23,27)/p+1