[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[(3-chloro-4-ethoxy-phenyl)methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[(3-chloro-4-ethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[(3-chloro-4-ethoxyphenyl)methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-(3-chloro-4-ethoxy-benzyl)ammonium Formula: C12H18ClN2O2+ MolecularWeight: 257.73652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C(C)C(=O)N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+][C@@H](C)C(=O)N)Cl

InChI

InChI=1S/C12H17ClN2O2/c1-3-17-11-5-4-9(6-10(11)13)7-15-8(2)12(14)16/h4-6,8,15H,3,7H2,1-2H3,(H2,14,16)/p+1/t8-/m0/s1