[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-methoxy-2-oxoethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(2-keto-2-methoxy-ethyl)ammonium Formula: C13H18ClN2O5+ MolecularWeight: 317.74542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(=O)OC)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC(=O)OC)Cl)OCC(=O)N

InChI

InChI=1S/C13H17ClN2O5/c1-19-10-4-8(5-16-6-12(18)20-2)3-9(14)13(10)21-7-11(15)17/h3-4,16H,5-7H2,1-2H3,(H2,15,17)/p+1