[(2S)-butan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [4-(methylcarbamoyl)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [4-(methylcarbamoyl)benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-4-10(2)15-9-11-5-7-12(8-6-11)13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)/p+1/t10-/m0/s1