(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methyl-cyclopentan-1-one hydrochloride

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methyl-cyclopentan-1-one hydrochloride Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-(dimethylaminomethyl)-2-methyl-cyclopentanone hydrochloride CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methyl-1-cyclopentanone hydrochloride IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylaminomethyl)-2-methylcyclopentan-1-one hydrochloride Traditional Name: (5E)-2-(dimethylaminomethyl)-2-methyl-5-piperonylidene-cyclopentanone hydrochloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN(C)C.Cl

Isomeric SMILES

CC1(CC/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)CN(C)C.Cl

InChI

InChI=1S/C17H21NO3.ClH/c1-17(10-18(2)3)7-6-13(16(17)19)8-12-4-5-14-15(9-12)21-11-20-14;/h4-5,8-9H,6-7,10-11H2,1-3H3;1H/b13-8+;