[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-3-10(2)15-8-11-4-6-12(7-5-11)17-9-13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)/p+1/t10-/m0/s1