(3,4-dimethoxyphenyl)methyl-methyl-(2-methylheptan-3-yl)azanium chloride

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-(2-methylheptan-3-yl)azanium chloride Openeye Name: (3,4-dimethoxyphenyl)methyl-(1-isopropylpentyl)-methyl-ammonium chloride CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-(2-methylheptan-3-yl)ammonium chloride IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-(2-methylheptan-3-yl)azanium chloride Traditional Name: 1-isopropylpentyl-methyl-veratryl-ammonium chloride Formula: C18H32ClNO2 MolecularWeight: 329.90518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C)[NH+](C)CC1=CC(=C(C=C1)OC)OC.[Cl-]

Isomeric SMILES

CCCCC(C(C)C)[NH+](C)CC1=CC(=C(C=C1)OC)OC.[Cl-]

InChI

InChI=1S/C18H31NO2.ClH/c1-7-8-9-16(14(2)3)19(4)13-15-10-11-17(20-5)18(12-15)21-6;/h10-12,14,16H,7-9,13H2,1-6H3;1H