[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-(2-oxidanyl-2-phenyl-ethyl)azanium chloride

Systemtic Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-(2-oxidanyl-2-phenyl-ethyl)azanium chloride Openeye Name: (2-hydroxy-2-phenyl-ethyl)-[[5-(4-methoxycarbonylphenyl)-2-furyl]methyl]ammonium chloride CAS Name: (2-hydroxy-2-phenylethyl)-[[5-(4-methoxycarbonylphenyl)-2-furanyl]methyl]ammonium chloride IUPAC Name: (2-hydroxy-2-phenylethyl)-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium chloride Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-(2-hydroxy-2-phenyl-ethyl)ammonium chloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H21NO4.ClH/c1-25-21(24)17-9-7-16(8-10-17)20-12-11-18(26-20)13-22-14-19(23)15-5-3-2-4-6-15;/h2-12,19,22-23H,13-14H2,1H3;1H