[(2S)-1-[(4-dimethylaminophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-dimethylaminophenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-dimethylaminophenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)N(C)C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)[NH3+]

InChI

InChI=1S/C13H21N3O/c1-9(2)12(14)13(17)15-10-5-7-11(8-6-10)16(3)4/h5-9,12H,14H2,1-4H3,(H,15,17)/p+1/t12-/m0/s1