4-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C19H21FN3O3+ MolecularWeight: 358.386743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C19H20FN3O3/c20-15-2-1-3-16(11-15)21-19(24)23-8-6-22(7-9-23)12-14-4-5-17-18(10-14)26-13-25-17/h1-5,10-11H,6-9,12-13H2,(H,21,24)/p+1