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

Systemtic Name: [(2S)-1-[[4-(diethylamino)-2-methyl-phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(diethylamino)-2-methyl-phenyl]carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(diethylamino)-2-methylanilino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(diethylamino)-2-methylanilino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(diethylamino)-2-methyl-phenyl]carbamoyl]-3-(methylthio)propyl]ammonium Formula: C16H28N3OS+ MolecularWeight: 310.47802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)C(CCSC)[NH3+])C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)[C@H](CCSC)[NH3+])C

InChI

InChI=1S/C16H27N3OS/c1-5-19(6-2)13-7-8-15(12(3)11-13)18-16(20)14(17)9-10-21-4/h7-8,11,14H,5-6,9-10,17H2,1-4H3,(H,18,20)/p+1/t14-/m0/s1