[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: [2-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: [2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: [2-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-homoveratryl-ammonium Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-24-16-8-7-14(11-18(16)26-3)9-10-22-12-15-5-4-6-17(25-2)20(15)27-13-19(21)23/h4-8,11,22H,9-10,12-13H2,1-3H3,(H2,21,23)/p+1