3-azanyl-4-(3,4,5-trimethoxyphenyl)butan-2-one hydrochloride

Systemtic Name: 3-azanyl-4-(3,4,5-trimethoxyphenyl)butan-2-one hydrochloride Openeye Name: 3-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one hydrochloride CAS Name: 3-amino-4-(3,4,5-trimethoxyphenyl)-2-butanone hydrochloride IUPAC Name: 3-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one hydrochloride Traditional Name: 3-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one hydrochloride Formula: C13H20ClNO4 MolecularWeight: 289.7552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)N.Cl

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)N.Cl

InChI

InChI=1S/C13H19NO4.ClH/c1-8(15)10(14)5-9-6-11(16-2)13(18-4)12(7-9)17-3;/h6-7,10H,5,14H2,1-4H3;1H