[(2S)-5-[(3-ethoxycarbonylphenyl)amino]-1-methoxy-1-oxidanylidene-pentan-2-yl]azanium chloride

Systemtic Name: [(2S)-5-[(3-ethoxycarbonylphenyl)amino]-1-methoxy-1-oxidanylidene-pentan-2-yl]azanium chloride Openeye Name: [(1S)-4-(3-ethoxycarbonylanilino)-1-methoxycarbonyl-butyl]ammonium chloride CAS Name: [(2S)-5-(3-ethoxycarbonylanilino)-1-methoxy-1-oxopentan-2-yl]ammonium chloride IUPAC Name: [(2S)-5-(3-ethoxycarbonylanilino)-1-methoxy-1-oxopentan-2-yl]azanium chloride Traditional Name: [(1S)-4-(3-carbethoxyanilino)-1-carbomethoxy-butyl]ammonium chloride Formula: C15H23ClN2O4 MolecularWeight: 330.80712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4.ClH/c1-3-21-14(18)11-6-4-7-12(10-11)17-9-5-8-13(16)15(19)20-2;/h4,6-7,10,13,17H,3,5,8-9,16H2,1-2H3;1H/t13-;/m0./s1