(3,4-dimethoxyphenyl)methyl-methyl-phenacyl-(2-phenylethanoyl)azanium chloride

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-phenacyl-(2-phenylethanoyl)azanium chloride Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-phenacyl-(2-phenylacetyl)ammonium chloride CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-(1-oxo-2-phenylethyl)-phenacylammonium chloride IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-phenacyl-(2-phenylacetyl)azanium chloride Traditional Name: methyl-phenacyl-(2-phenylacetyl)-veratryl-ammonium chloride Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC1=CC(=C(C=C1)OC)OC)(CC(=O)C2=CC=CC=C2)C(=O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+](CC1=CC(=C(C=C1)OC)OC)(CC(=O)C2=CC=CC=C2)C(=O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H28NO4.ClH/c1-27(19-23(28)22-12-8-5-9-13-22,26(29)17-20-10-6-4-7-11-20)18-21-14-15-24(30-2)25(16-21)31-3;/h4-16H,17-19H2,1-3H3;1H/q+1;/p-1