2-(azocan-1-ium-1-yl)-N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-phenyl-ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]-N-phenyl-acetamide Formula: C19H27N2O3S+ MolecularWeight: 363.49428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N([C@H]2CS(=O)(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N2O3S/c22-19(15-20-12-7-2-1-3-8-13-20)21(17-9-5-4-6-10-17)18-11-14-25(23,24)16-18/h4-6,9-11,14,18H,1-3,7-8,12-13,15-16H2/p+1/t18-/m1/s1