(2S,4R)-N-(1-benzothiophen-2-ylmethyl)-4-(4-fluorophenyl)sulfanyl-N-methyl-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-4-(4-fluorophenyl)sulfanyl-N-methyl-1-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-4-(4-fluorophenyl)sulfanyl-1-isopropyl-N-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-4-[(4-fluorophenyl)thio]-N-methyl-1-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(1-benzothiophen-2-ylmethyl)-4-(4-fluorophenyl)sulfanyl-N-methyl-1-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(benzothiophen-2-ylmethyl)-4-[(4-fluorophenyl)thio]-1-isopropyl-N-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C24H28FN2OS2+ MolecularWeight: 443.620323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CC1C(=O)N(C)CC2=CC3=CC=CC=C3S2)SC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)[NH+]1C[C@@H](C[C@H]1C(=O)N(C)CC2=CC3=CC=CC=C3S2)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2OS2/c1-16(2)27-15-21(29-19-10-8-18(25)9-11-19)13-22(27)24(28)26(3)14-20-12-17-6-4-5-7-23(17)30-20/h4-12,16,21-22H,13-15H2,1-3H3/p+1/t21-,22+/m1/s1