4-(2,4-dimethoxyphenyl)butan-2-yl-(3,3-diphenylpropyl)azanium chloride

Systemtic Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3,3-diphenylpropyl)azanium chloride Openeye Name: [3-(2,4-dimethoxyphenyl)-1-methyl-propyl]-(3,3-diphenylpropyl)ammonium chloride CAS Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3,3-diphenylpropyl)ammonium chloride IUPAC Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3,3-diphenylpropyl)azanium chloride Traditional Name: [3-(2,4-dimethoxyphenyl)-1-methyl-propyl]-(3,3-diphenylpropyl)ammonium chloride Formula: C27H34ClNO2 MolecularWeight: 440.01736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C=C1)OC)OC)[NH2+]CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(CCC1=C(C=C(C=C1)OC)OC)[NH2+]CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C27H33NO2.ClH/c1-21(14-15-24-16-17-25(29-2)20-27(24)30-3)28-19-18-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-13,16-17,20-21,26,28H,14-15,18-19H2,1-3H3;1H