(2S)-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-chloranyl-propan-1-one

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-chloranyl-propan-1-one Openeye Name: (2S)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-chloro-propan-1-one CAS Name: (2S)-1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-chloro-1-propanone IUPAC Name: (2S)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-chloropropan-1-one Traditional Name: (2S)-2-chloro-1-(4-piperonyloylpiperazino)propan-1-one Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O4/c1-10(16)14(19)17-4-6-18(7-5-17)15(20)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10H,4-7,9H2,1H3/t10-/m0/s1