[(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [(2S,4S)-4-[(4-fluorophenyl)thio]-2-pyrrolidin-1-iumyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [(2S,4S)-4-[(4-fluorophenyl)thio]pyrrolidin-1-ium-2-yl]-(4-methylpiperidino)methanone Formula: C17H24FN2OS+ MolecularWeight: 323.448663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CC(C[NH2+]2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H]2C[C@@H](C[NH2+]2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN2OS/c1-12-6-8-20(9-7-12)17(21)16-10-15(11-19-16)22-14-4-2-13(18)3-5-14/h2-5,12,15-16,19H,6-11H2,1H3/p+1/t15-,16-/m0/s1