2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C16H17ClN4O3/c17-13-7-15-14(23-10-24-15)5-11(13)9-21-16(22)6-12(8-19-21)20-3-1-18-2-4-20/h5-8,18H,1-4,9-10H2/p+1