2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium Traditional Name: homoveratryl-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH2+]CCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](C[NH2+]CCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3/p+1/t17-/m1/s1