(3,4-dimethoxyphenyl)methyl-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methyl-veratryl-ammonium Formula: C20H28NO5+ MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)OC)O

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)C[C@@H](COC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C20H27NO5/c1-21(12-15-5-10-19(24-3)20(11-15)25-4)13-16(22)14-26-18-8-6-17(23-2)7-9-18/h5-11,16,22H,12-14H2,1-4H3/p+1/t16-/m0/s1