[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C15H23ClN3OS+ MolecularWeight: 328.88062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)[NH3+]

InChI

InChI=1S/C15H22ClN3OS/c1-21-10-5-14(17)15(20)19-8-6-18(7-9-19)13-4-2-3-12(16)11-13/h2-4,11,14H,5-10,17H2,1H3/p+1/t14-/m0/s1