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

Systemtic Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3-phenylpropyl)azanium chloride Openeye Name: [3-(2,4-dimethoxyphenyl)-1-methyl-propyl]-(3-phenylpropyl)ammonium chloride CAS Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3-phenylpropyl)ammonium chloride IUPAC Name: 4-(2,4-dimethoxyphenyl)butan-2-yl-(3-phenylpropyl)azanium chloride Traditional Name: [3-(2,4-dimethoxyphenyl)-1-methyl-propyl]-(3-phenylpropyl)ammonium chloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C=C1)OC)OC)[NH2+]CCCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(CCC1=C(C=C(C=C1)OC)OC)[NH2+]CCCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H29NO2.ClH/c1-17(22-15-7-10-18-8-5-4-6-9-18)11-12-19-13-14-20(23-2)16-21(19)24-3;/h4-6,8-9,13-14,16-17,22H,7,10-12,15H2,1-3H3;1H