1-[4-[4-(dimethylamino)butoxy]phenyl]-2-oxidanyl-pent-4-en-1-one hydrochloride

Systemtic Name: 1-[4-[4-(dimethylamino)butoxy]phenyl]-2-oxidanyl-pent-4-en-1-one hydrochloride Openeye Name: 1-[4-[4-(dimethylamino)butoxy]phenyl]-2-hydroxy-pent-4-en-1-one hydrochloride CAS Name: 1-[4-[4-(dimethylamino)butoxy]phenyl]-2-hydroxy-4-penten-1-one hydrochloride IUPAC Name: 1-[4-[4-(dimethylamino)butoxy]phenyl]-2-hydroxypent-4-en-1-one hydrochloride Traditional Name: 1-[4-[4-(dimethylamino)butoxy]phenyl]-2-hydroxy-pent-4-en-1-one hydrochloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=CC=C(C=C1)C(=O)C(CC=C)O.Cl

Isomeric SMILES

CN(C)CCCCOC1=CC=C(C=C1)C(=O)C(CC=C)O.Cl

InChI

InChI=1S/C17H25NO3.ClH/c1-4-7-16(19)17(20)14-8-10-15(11-9-14)21-13-6-5-12-18(2)3;/h4,8-11,16,19H,1,5-7,12-13H2,2-3H3;1H