S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N,N-dimethylcarbamothioate Openeye Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic 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] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl] ester Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)S[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)S[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N2O3S/c1-21(2)20(24)26-22(14-6-9-19(22)23)15-16-10-12-18(13-11-16)25-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3/q+1