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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: homoveratryl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium Formula: C25H30NO4+ MolecularWeight: 408.51

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)OC

InChI

InChI=1S/C25H29NO4/c1-28-24-13-8-19(16-25(24)29-2)14-15-26-17-22(27)18-30-23-11-9-21(10-12-23)20-6-4-3-5-7-20/h3-13,16,22,26-27H,14-15,17-18H2,1-2H3/p+1/t22-/m1/s1