(2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-N-isopropyl-1-[(2-methoxy-1-naphthyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(4-fluorophenyl)thio]-1-[(2-methoxy-1-naphthalenyl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(4-fluorophenyl)thio]-N-isopropyl-1-[(2-methoxy-1-naphthyl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C26H30FN2O2S+ MolecularWeight: 453.592003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=C(C=CC3=CC=CC=C32)OC)SC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=C(C=CC3=CC=CC=C32)OC)SC4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN2O2S/c1-17(2)28-26(30)24-14-21(32-20-11-9-19(27)10-12-20)15-29(24)16-23-22-7-5-4-6-18(22)8-13-25(23)31-3/h4-13,17,21,24H,14-16H2,1-3H3,(H,28,30)/p+1/t21-,24+/m1/s1