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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-methoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-methoxy-benzyl)-homoveratryl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-5-12-26-19-9-7-17(14-21(19)25-4)15-22-11-10-16-6-8-18(23-2)20(13-16)24-3/h5-9,13-14,22H,1,10-12,15H2,2-4H3/p+1