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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloranyl-2-methyl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-2-methyl-pyrazol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-chloro-2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-chloro-2-methylpyrazol-3-yl)methanone Traditional Name: (4-chloro-2-methyl-pyrazol-3-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H20ClN4O3+ MolecularWeight: 363.8187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19ClN4O3/c1-20-16(13(18)9-19-20)17(23)22-6-4-21(5-7-22)10-12-2-3-14-15(8-12)25-11-24-14/h2-3,8-9H,4-7,10-11H2,1H3/p+1