N-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Openeye Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: N-[[(3R)-1,1-dioxo-3-thiolanyl]methyl]-2-(1-piperidin-1-iumyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Traditional Name: N-[[(3R)-1,1-diketothiolan-3-yl]methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCC4CCS(=O)(=O)C4

Isomeric SMILES

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NC[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C20H28N2O3S/c23-19(21-14-16-8-11-26(24,25)15-16)20(22-9-4-1-5-10-22)12-17-6-2-3-7-18(17)13-20/h2-3,6-7,16H,1,4-5,8-15H2,(H,21,23)/p+1/t16-/m1/s1