4-(butylamino)-2,6,6-trimethyl-5-oxidanyl-cyclohept-2-en-1-one hydrochloride

Systemtic Name: 4-(butylamino)-2,6,6-trimethyl-5-oxidanyl-cyclohept-2-en-1-one hydrochloride Openeye Name: 4-(butylamino)-5-hydroxy-2,6,6-trimethyl-cyclohept-2-en-1-one hydrochloride CAS Name: 4-(butylamino)-5-hydroxy-2,6,6-trimethyl-1-cyclohept-2-enone hydrochloride IUPAC Name: 4-(butylamino)-5-hydroxy-2,6,6-trimethylcyclohept-2-en-1-one hydrochloride Traditional Name: 4-(butylamino)-5-hydroxy-2,6,6-trimethyl-cyclohept-2-en-1-one hydrochloride Formula: C14H26ClNO2 MolecularWeight: 275.81474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C=C(C(=O)CC(C1O)(C)C)C.Cl

Isomeric SMILES

CCCCNC1C=C(C(=O)CC(C1O)(C)C)C.Cl

InChI

InChI=1S/C14H25NO2.ClH/c1-5-6-7-15-11-8-10(2)12(16)9-14(3,4)13(11)17;/h8,11,13,15,17H,5-7,9H2,1-4H3;1H