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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloranyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloro-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-chloroethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-chloroethanone Traditional Name: 2-chloro-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C14H18ClN2O3+ MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3/c15-8-14(18)17-5-3-16(4-6-17)9-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10H2/p+1