1-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]-2-ethyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-2-ethylbutan-1-one Traditional Name: 2-ethyl-1-(4-piperonylpiperidino)butan-1-one Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27NO3/c1-3-16(4-2)19(21)20-9-7-14(8-10-20)11-15-5-6-17-18(12-15)23-13-22-17/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3