1,3-benzodioxol-5-ylmethyl-[4-(4-fluorophenyl)-4-oxidanylidene-butan-2-ylidene]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[4-(4-fluorophenyl)-4-oxidanylidene-butan-2-ylidene]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-(4-fluorophenyl)-1-methyl-3-oxo-propylidene]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[4-(4-fluorophenyl)-4-oxobutan-2-ylidene]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[4-(4-fluorophenyl)-4-oxobutan-2-ylidene]azanium Traditional Name: [3-(4-fluorophenyl)-3-keto-1-methyl-propylidene]-piperonyl-ammonium Formula: C18H17FNO3+ MolecularWeight: 314.330883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CC1=CC2=C(C=C1)OCO2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=[NH+]CC1=CC2=C(C=C1)OCO2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FNO3/c1-12(8-16(21)14-3-5-15(19)6-4-14)20-10-13-2-7-17-18(9-13)23-11-22-17/h2-7,9H,8,10-11H2,1H3/p+1