[(2S)-3-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-3-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[[(3-ethoxycarbonylphenyl)carbamoylamino]methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-3-[[(3-ethoxycarbonylanilino)-oxomethyl]amino]-1-methoxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-3-[(3-ethoxycarbonylphenyl)carbamoylamino]-1-methoxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-1-[[(3-carbethoxyphenyl)carbamoylamino]methyl]-2-keto-2-methoxy-ethyl]ammonium chloride Formula: C14H20ClN3O5 MolecularWeight: 345.7787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC(C(=O)OC)[NH3+].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC[C@@H](C(=O)OC)[NH3+].[Cl-]

InChI

InChI=1S/C14H19N3O5.ClH/c1-3-22-12(18)9-5-4-6-10(7-9)17-14(20)16-8-11(15)13(19)21-2;/h4-7,11H,3,8,15H2,1-2H3,(H2,16,17,20);1H/t11-;/m0./s1