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

Systemtic Name: [(2S)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]butan-2-yl]azanium Openeye Name: [(1S)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-1-methyl-propyl]ammonium CAS Name: [(2S)-4-[4-(2-amino-2-oxoethoxy)phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-(2-amino-2-oxoethoxy)phenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-(2-amino-2-keto-ethoxy)phenyl]-1-methyl-propyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OCC(=O)N)[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OCC(=O)N)[NH3+]

InChI

InChI=1S/C12H18N2O2/c1-9(13)2-3-10-4-6-11(7-5-10)16-8-12(14)15/h4-7,9H,2-3,8,13H2,1H3,(H2,14,15)/p+1/t9-/m0/s1