(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylazanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-methyl-ammonium Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+](C)CC2=CC(=C(C=C2C)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C[NH+](C)CC2=CC(=C(C=C2C)OC)OC)O

InChI

InChI=1S/C21H29NO4/c1-15-6-8-19(9-7-15)26-14-18(23)13-22(3)12-17-11-21(25-5)20(24-4)10-16(17)2/h6-11,18,23H,12-14H2,1-5H3/p+1/t18-/m0/s1