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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(2-oxidanyl-2-phenyl-ethyl)azanium chloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(2-hydroxy-2-phenyl-ethyl)ammonium chloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)ammonium chloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(2-hydroxy-2-phenyl-ethyl)ammonium chloride Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Cl)OCC(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Cl)OCC(=O)N.[Cl-]

InChI

InChI=1S/C18H21ClN2O4.ClH/c1-24-16-8-12(7-14(19)18(16)25-11-17(20)23)9-21-10-15(22)13-5-3-2-4-6-13;/h2-8,15,21-22H,9-11H2,1H3,(H2,20,23);1H