[6-cyano-6-(3,4-dimethoxyphenyl)-1-ethoxy-7-methyl-1-oxidanylidene-octan-2-yl]-[(3,4-dimethoxyphenyl)methylidene]-methyl-azanium

Systemtic Name: [6-cyano-6-(3,4-dimethoxyphenyl)-1-ethoxy-7-methyl-1-oxidanylidene-octan-2-yl]-[(3,4-dimethoxyphenyl)methylidene]-methyl-azanium Openeye Name: [5-cyano-5-(3,4-dimethoxyphenyl)-1-ethoxycarbonyl-6-methyl-heptyl]-[(3,4-dimethoxyphenyl)methylene]-methyl-ammonium CAS Name: [6-cyano-6-(3,4-dimethoxyphenyl)-1-ethoxy-7-methyl-1-oxooctan-2-yl]-[(3,4-dimethoxyphenyl)methylidene]-methylammonium IUPAC Name: [6-cyano-6-(3,4-dimethoxyphenyl)-1-ethoxy-7-methyl-1-oxooctan-2-yl]-[(3,4-dimethoxyphenyl)methylidene]-methylazanium Traditional Name: [1-carbethoxy-5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-heptyl]-methyl-veratrylidene-ammonium Formula: C30H41N2O6+ MolecularWeight: 525.65634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C)[N+](=CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C(CCCC(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C)[N+](=CC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C30H41N2O6/c1-9-38-29(33)24(32(4)19-22-12-14-25(34-5)27(17-22)36-7)11-10-16-30(20-31,21(2)3)23-13-15-26(35-6)28(18-23)37-8/h12-15,17-19,21,24H,9-11,16H2,1-8H3/q+1