[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranyl-6-fluoranyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranyl-6-fluoranyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-6-fluoro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-chloro-6-fluorophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-6-fluorophenyl)methanone Traditional Name: (2-chloro-6-fluoro-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H19ClFN2O3+ MolecularWeight: 377.817163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H18ClFN2O3/c20-14-2-1-3-15(21)18(14)19(24)23-8-6-22(7-9-23)11-13-4-5-16-17(10-13)26-12-25-16/h1-5,10H,6-9,11-12H2/p+1