1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-bis(chloranyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-bis(chloranyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dichloro-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2,2-dichloroethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,2-dichloroethanone Traditional Name: 2,2-dichloro-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C14H17Cl2N2O3+ MolecularWeight: 332.20238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O3/c15-13(16)14(19)18-5-3-17(4-6-18)8-10-1-2-11-12(7-10)21-9-20-11/h1-2,7,13H,3-6,8-9H2/p+1