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

Systemtic Name: (2S,4R)-N-cyclopropyl-1-[(4-ethylphenyl)methyl]-4-(4-fluorophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-1-[(4-ethylphenyl)methyl]-4-(4-fluorophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-1-[(4-ethylphenyl)methyl]-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-1-(4-ethylbenzyl)-4-[(4-fluorophenyl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C23H28FN2OS+ MolecularWeight: 399.544623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)NC3CC3)SC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)NC3CC3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN2OS/c1-2-16-3-5-17(6-4-16)14-26-15-21(28-20-11-7-18(24)8-12-20)13-22(26)23(27)25-19-9-10-19/h3-8,11-12,19,21-22H,2,9-10,13-15H2,1H3,(H,25,27)/p+1/t21-,22+/m1/s1