(2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-piperonyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H24FN2O3S+ MolecularWeight: 415.500963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2CC3=CC4=C(C=C3)OCO4)SC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@@H](C[NH+]2CC3=CC4=C(C=C3)OCO4)SC5=CC=C(C=C5)F

InChI

InChI=1S/C22H23FN2O3S/c23-15-2-6-17(7-3-15)29-18-10-19(22(26)24-16-4-5-16)25(12-18)11-14-1-8-20-21(9-14)28-13-27-20/h1-3,6-9,16,18-19H,4-5,10-13H2,(H,24,26)/p+1/t18-,19-/m0/s1