(5-azanyl-1-methoxy-1-oxidanylidene-pentan-2-yl)-(phenylcarbonyl)azanium chloride

Systemtic Name: (5-azanyl-1-methoxy-1-oxidanylidene-pentan-2-yl)-(phenylcarbonyl)azanium chloride Openeye Name: (4-amino-1-methoxycarbonyl-butyl)-benzoyl-ammonium chloride CAS Name: (5-amino-1-methoxy-1-oxopentan-2-yl)-benzoylammonium chloride IUPAC Name: (5-amino-1-methoxy-1-oxopentan-2-yl)-benzoylazanium chloride Traditional Name: (4-amino-1-carbomethoxy-butyl)-benzoyl-ammonium chloride Formula: C13H19ClN2O3 MolecularWeight: 286.75456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN)[NH2+]C(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

COC(=O)C(CCCN)[NH2+]C(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C13H18N2O3.ClH/c1-18-13(17)11(8-5-9-14)15-12(16)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9,14H2,1H3,(H,15,16);1H