[7-cyano-1,7-bis(3,4-dimethoxyphenyl)nonan-3-yl]azanium chloride

Systemtic Name: [7-cyano-1,7-bis(3,4-dimethoxyphenyl)nonan-3-yl]azanium chloride Openeye Name: [5-cyano-5-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]heptyl]ammonium chloride CAS Name: [7-cyano-1,7-bis(3,4-dimethoxyphenyl)nonan-3-yl]ammonium chloride IUPAC Name: [7-cyano-1,7-bis(3,4-dimethoxyphenyl)nonan-3-yl]azanium chloride Traditional Name: [5-cyano-5-(3,4-dimethoxyphenyl)-1-homoveratryl-heptyl]ammonium chloride Formula: C26H37ClN2O4 MolecularWeight: 477.03598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)[NH3+])(C#N)C2=CC(=C(C=C2)OC)OC.[Cl-]

Isomeric SMILES

CCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)[NH3+])(C#N)C2=CC(=C(C=C2)OC)OC.[Cl-]

InChI

InChI=1S/C26H36N2O4.ClH/c1-6-26(18-27,20-11-14-23(30-3)25(17-20)32-5)15-7-8-21(28)12-9-19-10-13-22(29-2)24(16-19)31-4;/h10-11,13-14,16-17,21H,6-9,12,15,28H2,1-5H3;1H