[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C17H18FN2O3+ MolecularWeight: 317.334823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17FN2O3/c1-20(9-12-3-2-4-13(18)7-12)10-17(21)19-14-5-6-15-16(8-14)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21)/p+1