3,5-dimethoxy-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 3,5-dimethoxy-N-[1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 3,5-dimethoxy-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(2-thenylamino)ethyl]piperidin-1-ium-4-yl]-3,5-dimethoxy-benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-17-10-15(11-18(12-17)28-2)21(26)23-16-5-7-24(8-6-16)14-20(25)22-13-19-4-3-9-29-19/h3-4,9-12,16H,5-8,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1