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

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

Systemtic Name:ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]-(phenylmethyl)azanium
Openeye Name:benzyl-ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium
CAS Name:ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
Traditional Name:benzyl-ethyl-vanillyl-ammonium
Formula: C17H22NO2+
MolecularWeight: 272.36208
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)O)OC


Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)O)OC


InChI

InChI=1S/C17H21NO2/c1-3-18(12-14-7-5-4-6-8-14)13-15-9-10-16(19)17(11-15)20-2/h4-11,19H,3,12-13H2,1-2H3/p+1


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