N-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C19H21FN3O3+ MolecularWeight: 358.386743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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