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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)NN=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)NN=C4)Cl

InChI

InChI=1S/C16H17ClN4O3/c17-15-12(8-18-19-16(15)22)21-5-3-20(4-6-21)9-11-1-2-13-14(7-11)24-10-23-13/h1-2,7-8H,3-6,9-10H2,(H,19,22)/p+1