S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] carbamothioate

Systemtic Name: S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] carbamothioate Openeye Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] carbamothioate CAS Name: carbamothioic acid S-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]] ester IUPAC Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] carbamothioate Traditional Name: thiocarbamic acid S-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl] ester Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c19-18(22)24-20(12-4-7-17(20)21)13-14-8-10-16(11-9-14)23-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H-,19,22)/p+1