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

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

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
Traditional Name:homoveratryl(vanillyl)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=CC(=C(C=C2)O)OC)OC


Isomeric SMILES

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


InChI

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


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