N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-piperonylamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FN3O4/c22-17-4-2-1-3-16(17)13-24-7-9-25(10-8-24)20(26)12-23-21(27)15-5-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H,23,27)/p+1