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

Systemtic Name: N-ethyl-N-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioate Openeye Name: N-ethyl-N-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioate CAS Name: N-ethyl-N-[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]carbamothioate IUPAC Name: N-ethyl-N-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioate Traditional Name: N-ethyl-N-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thiocarbamate Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-2-21(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,2,6,9,14-15H2,1H3