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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromanyl-2-fluoranyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromo-2-fluoro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-bromo-2-fluorophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromo-2-fluorophenyl)methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H19BrFN2O3+ MolecularWeight: 422.268163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN2O3/c20-14-2-3-15(16(21)10-14)19(24)23-7-5-22(6-8-23)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2/p+1