3-(butylaminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-one chloride

Systemtic Name: 3-(butylaminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-one chloride Openeye Name: 3-(butylaminomethyl)-7,8-dimethyl-chroman-4-one chloride CAS Name: 3-(butylaminomethyl)-7,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one chloride IUPAC Name: 3-(butylaminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-one chloride Traditional Name: 3-(butylaminomethyl)-7,8-dimethyl-chroman-4-one chloride Formula: C16H23ClNO2- MolecularWeight: 296.81232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1COC2=C(C1=O)C=CC(=C2C)C.[Cl-]

Isomeric SMILES

CCCCNCC1COC2=C(C1=O)C=CC(=C2C)C.[Cl-]

InChI

InChI=1S/C16H23NO2.ClH/c1-4-5-8-17-9-13-10-19-16-12(3)11(2)6-7-14(16)15(13)18;/h6-7,13,17H,4-5,8-10H2,1-3H3;1H/p-1