2-(3-methoxy-4-oxidanyl-phenyl)ethyl-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-(3-methoxy-4-oxidanyl-phenyl)ethyl-[(4-methoxy-3-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(4-hydroxy-3-methoxy-phenyl)ethyl-[(3-hydroxy-4-methoxy-phenyl)methyl]ammonium CAS Name: 2-(4-hydroxy-3-methoxyphenyl)ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]azanium Traditional Name: homovanillyl-(3-hydroxy-4-methoxy-benzyl)ammonium Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC(=C(C=C2)O)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC(=C(C=C2)O)OC)O

InChI

InChI=1S/C17H21NO4/c1-21-16-6-4-13(9-15(16)20)11-18-8-7-12-3-5-14(19)17(10-12)22-2/h3-6,9-10,18-20H,7-8,11H2,1-2H3/p+1