(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-homoveratryl-ammonium Formula: C21H27BrNO4+ MolecularWeight: 437.34738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC)OC

InChI

InChI=1S/C21H26BrNO4/c1-5-10-27-21-17(22)11-16(13-20(21)26-4)14-23-9-8-15-6-7-18(24-2)19(12-15)25-3/h5-7,11-13,23H,1,8-10,14H2,2-4H3/p+1