[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylcarbamic acid

Systemtic Name: [2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylcarbamic acid Openeye Name: [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylcarbamic acid CAS Name: [[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]carbamic acid IUPAC Name: [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylcarbamic acid Traditional Name: [[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]carbamic acid Formula: C18H19N2O4S+ MolecularWeight: 359.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SNC(=O)O

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SNC(=O)O

InChI

InChI=1S/C18H18N2O4S/c21-17-7-4-12-20(17,25-19-18(22)23)13-14-8-10-16(11-9-14)24-15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-13H2/p+1