N-(2-methoxyphenyl)-1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(2-thenylamino)ethyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-26-18-7-3-2-6-17(18)22-20(25)15-8-10-23(11-9-15)14-19(24)21-13-16-5-4-12-27-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1