[(2S)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butan-2-yl]-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [(2S)-4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butan-2-yl]-(4-oxidanylcyclohexyl)azanium Openeye Name: [(1S)-3-(2,4-dimethylanilino)-1-methyl-3-oxo-propyl]-(4-hydroxycyclohexyl)ammonium CAS Name: [(2S)-4-(2,4-dimethylanilino)-4-oxobutan-2-yl]-(4-hydroxycyclohexyl)ammonium IUPAC Name: [(2S)-4-(2,4-dimethylanilino)-4-oxobutan-2-yl]-(4-hydroxycyclohexyl)azanium Traditional Name: [(1S)-3-(2,4-dimethylanilino)-3-keto-1-methyl-propyl]-(4-hydroxycyclohexyl)ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C)[NH2+]C2CCC(CC2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H](C)[NH2+]C2CCC(CC2)O)C

InChI

InChI=1S/C18H28N2O2/c1-12-4-9-17(13(2)10-12)20-18(22)11-14(3)19-15-5-7-16(21)8-6-15/h4,9-10,14-16,19,21H,5-8,11H2,1-3H3,(H,20,22)/p+1/t14-,15?,16?/m0/s1