(1-azanyl-2-phenyl-butylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride

Systemtic Name: (1-azanyl-2-phenyl-butylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride Openeye Name: (1-amino-2-phenyl-butylidene)-[2-(3,4-dimethoxyphenyl)ethyl]ammonium chloride CAS Name: (1-amino-2-phenylbutylidene)-[2-(3,4-dimethoxyphenyl)ethyl]ammonium chloride IUPAC Name: (1-amino-2-phenylbutylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride Traditional Name: (1-amino-2-phenyl-butylidene)-homoveratryl-ammonium chloride Formula: C20H27ClN2O2 MolecularWeight: 362.89358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=[NH+]CCC2=CC(=C(C=C2)OC)OC)N.[Cl-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=[NH+]CCC2=CC(=C(C=C2)OC)OC)N.[Cl-]

InChI

InChI=1S/C20H26N2O2.ClH/c1-4-17(16-8-6-5-7-9-16)20(21)22-13-12-15-10-11-18(23-2)19(14-15)24-3;/h5-11,14,17H,4,12-13H2,1-3H3,(H2,21,22);1H