[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] ethanoate Openeye Name: [(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] acetate CAS Name: acetic acid [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-keto-1-methyl-2-(4-piperonylpiperazino)ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC(=O)C

InChI

InChI=1S/C17H22N2O5/c1-12(24-13(2)20)17(21)19-7-5-18(6-8-19)10-14-3-4-15-16(9-14)23-11-22-15/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-/m0/s1