(2S,4S)-4-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-4-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-[(4-fluorophenyl)thio]-N-(4-methoxyphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-[(4-fluorophenyl)thio]-N-(4-methoxyphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C18H20FN2O2S+ MolecularWeight: 347.427003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2CC(C[NH2+]2)SC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H](C[NH2+]2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O2S/c1-23-14-6-4-13(5-7-14)21-18(22)17-10-16(11-20-17)24-15-8-2-12(19)3-9-15/h2-9,16-17,20H,10-11H2,1H3,(H,21,22)/p+1/t16-,17-/m0/s1