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

Systemtic Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(2S,4S)-4-[(4-fluorophenyl)thio]-2-pyrrolidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(2S,4S)-4-(4-fluorophenyl)sulfanylpyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(2S,4S)-4-[(4-fluorophenyl)thio]pyrrolidin-1-ium-2-yl]-(4-phenylpiperazino)methanone Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC(C[NH2+]3)SC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3C[C@@H](C[NH2+]3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3OS/c22-16-6-8-18(9-7-16)27-19-14-20(23-15-19)21(26)25-12-10-24(11-13-25)17-4-2-1-3-5-17/h1-9,19-20,23H,10-15H2/p+1/t19-,20-/m0/s1