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

Systemtic Name: [2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethylcarbamic acid Openeye Name: [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethylcarbamic acid CAS Name: [[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]methylcarbamic acid IUPAC Name: [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethylcarbamic acid Traditional Name: [[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]methylcarbamic acid Formula: C19H21N2O4S+ MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c22-18-7-4-12-21(18,26-14-20-19(23)24)13-15-8-10-17(11-9-15)25-16-5-2-1-3-6-16/h1-3,5-6,8-11,20H,4,7,12-14H2/p+1