(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperazino)butan-1-one Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O4/c1-3-13(16(19)18-8-6-17(2)7-9-18)22-12-4-5-14-15(10-12)21-11-20-14/h4-5,10,13H,3,6-9,11H2,1-2H3/t13-/m0/s1