4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-2-one Formula: C12H14ClN2O3+ MolecularWeight: 269.70416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C12H13ClN2O3/c13-9-3-8(4-10-12(9)18-7-17-10)5-15-2-1-14-11(16)6-15/h3-4H,1-2,5-7H2,(H,14,16)/p+1