2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]azanium Traditional Name: [(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]-homoveratryl-ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-15-7-6-8-16(2)21(15)25-14-17(3)22-12-11-18-9-10-19(23-4)20(13-18)24-5/h6-10,13,17,22H,11-12,14H2,1-5H3/p+1/t17-/m1/s1