[(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(4-methyl-1-piperidyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-methyl-1-piperidinyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methylpiperidin-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(4-methylpiperidino)phenyl]carbamoyl]-3-(methylthio)propyl]ammonium Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C17H27N3OS/c1-13-7-10-20(11-8-13)15-5-3-14(4-6-15)19-17(21)16(18)9-12-22-2/h3-6,13,16H,7-12,18H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1