4-ethoxy-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-ethoxy-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-ethoxy-N-[1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-ethoxy-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-ethoxy-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-ethoxy-N-[1-[2-keto-2-(2-thenylamino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-18-7-5-16(6-8-18)21(26)23-17-9-11-24(12-10-17)15-20(25)22-14-19-4-3-13-28-19/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1