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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]azanium Traditional Name: homoveratryl-[4-(2-hydroxyethoxy)-3-methoxy-benzyl]ammonium Formula: C20H28NO5+ MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-23-17-6-4-15(12-19(17)24-2)8-9-21-14-16-5-7-18(26-11-10-22)20(13-16)25-3/h4-7,12-13,21-22H,8-11,14H2,1-3H3/p+1