N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22FN3O3/c21-16-3-1-2-15(12-16)14-23-6-8-24(9-7-23)20(25)22-17-4-5-18-19(13-17)27-11-10-26-18/h1-5,12-13H,6-11,14H2,(H,22,25)/p+1