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

Systemtic Name: [(2S)-1-[4-(4-methoxycarbonylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(4-methoxycarbonylphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-methoxycarbonylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methoxycarbonylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(4-carbomethoxyphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C17H25N3O3S/c1-23-17(22)13-3-5-14(6-4-13)19-8-10-20(11-9-19)16(21)15(18)7-12-24-2/h3-6,15H,7-12,18H2,1-2H3/p+1/t15-/m0/s1