[(2S)-1-[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(4-cyclohexyltriazol-1-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-cyclohexyl-1-triazolyl)-1-piperidinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(4-cyclohexyltriazol-1-yl)piperidine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C18H32N5OS+ MolecularWeight: 366.54458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)N2C=C(N=N2)C3CCCCC3)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)N2C=C(N=N2)C3CCCCC3)[NH3+]

InChI

InChI=1S/C18H31N5OS/c1-25-12-9-16(19)18(24)22-10-7-15(8-11-22)23-13-17(20-21-23)14-5-3-2-4-6-14/h13-16H,2-12,19H2,1H3/p+1/t16-/m0/s1