[3-[(3,4-dimethoxyphenyl)methyl]-2-methyl-tridecan-2-yl]azanium chloride

Systemtic Name: [3-[(3,4-dimethoxyphenyl)methyl]-2-methyl-tridecan-2-yl]azanium chloride Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl]-1,1-dimethyl-dodecyl]ammonium chloride CAS Name: [3-[(3,4-dimethoxyphenyl)methyl]-2-methyltridecan-2-yl]ammonium chloride IUPAC Name: [3-[(3,4-dimethoxyphenyl)methyl]-2-methyltridecan-2-yl]azanium chloride Traditional Name: (1,1-dimethyl-2-veratryl-dodecyl)ammonium chloride Formula: C23H42ClNO2 MolecularWeight: 400.03808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC1=CC(=C(C=C1)OC)OC)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCC(CC1=CC(=C(C=C1)OC)OC)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C23H41NO2.ClH/c1-6-7-8-9-10-11-12-13-14-20(23(2,3)24)17-19-15-16-21(25-4)22(18-19)26-5;/h15-16,18,20H,6-14,17,24H2,1-5H3;1H