[(1S)-1-[4-(2-methylpropoxycarbonylamino)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(2-methylpropoxycarbonylamino)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(isobutoxycarbonylamino)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[[2-methylpropoxy(oxo)methyl]amino]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2-methylpropoxycarbonylamino)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(isobutoxycarbonylamino)phenyl]ethyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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