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

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]propanethioate Openeye Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]propanethioate CAS Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]propanethioate IUPAC Name: 2-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]propanethioate Traditional Name: 2-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thiopropionate Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15(20(23)25)21(13-5-8-19(21)22)14-16-9-11-18(12-10-16)24-17-6-3-2-4-7-17/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3