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

Systemtic Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxynaphthalen-1-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxy-1-naphthyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-[(2-methoxy-1-naphthalenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(2-methoxynaphthalen-1-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-[(2-methoxy-1-naphthyl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C26H28FN2O2S+ MolecularWeight: 451.576123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CC(CC3C(=O)NC4CC4)SC5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3C[C@@H](C[C@H]3C(=O)NC4CC4)SC5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN2O2S/c1-31-25-13-6-17-4-2-3-5-22(17)23(25)16-29-15-21(32-20-11-7-18(27)8-12-20)14-24(29)26(30)28-19-9-10-19/h2-8,11-13,19,21,24H,9-10,14-16H2,1H3,(H,28,30)/p+1/t21-,24+/m1/s1