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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: homoveratryl-(2-hydroxy-3-methoxy-benzyl)ammonium Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=C(C(=CC=C2)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=C(C(=CC=C2)OC)O)OC

InChI

InChI=1S/C18H23NO4/c1-21-15-8-7-13(11-17(15)23-3)9-10-19-12-14-5-4-6-16(22-2)18(14)20/h4-8,11,19-20H,9-10,12H2,1-3H3/p+1