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

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

Systemtic Name:(3-hydroxyphenyl)methyl-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]azanium
Openeye Name:2-(4-hydroxy-3-methoxy-phenyl)ethyl-[(3-hydroxyphenyl)methyl]ammonium
CAS Name:2-(4-hydroxy-3-methoxyphenyl)ethyl-[(3-hydroxyphenyl)methyl]ammonium
IUPAC Name:2-(4-hydroxy-3-methoxyphenyl)ethyl-[(3-hydroxyphenyl)methyl]azanium
Traditional Name:homovanillyl-(3-hydroxybenzyl)ammonium
Formula: C16H20NO3+
MolecularWeight: 274.3349
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H19NO3/c1-20-16-10-12(5-6-15(16)19)7-8-17-11-13-3-2-4-14(18)9-13/h2-6,9-10,17-19H,7-8,11H2,1H3/p+1


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