2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-pentan-1-one hydrochloride

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-pentan-1-one hydrochloride Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-pentan-1-one hydrochloride CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-1-pentanone hydrochloride IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylpentan-1-one hydrochloride Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-pentan-1-one hydrochloride Formula: C22H26ClNO MolecularWeight: 355.90094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25NO.ClH/c1-4-10-19(21(24)16-11-6-5-7-12-16)20-18-14-9-8-13-17(18)15-22(2,3)23-20;/h5-9,11-14,19H,4,10,15H2,1-3H3;1H