2,2-dimethyl-N-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]propanamide Openeye Name: 2,2-dimethyl-N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]propanamide CAS Name: 2,2-dimethyl-N-[[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]methyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylmethyl]propanamide Traditional Name: N-[[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]methyl]-2,2-dimethyl-propionamide Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-23(2,3)22(27)24-17-29-25(15-7-10-21(25)26)16-18-11-13-20(14-12-18)28-19-8-5-4-6-9-19/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3/p+1