2-(1,3-benzodioxol-5-yl)ethyl-[(E)-5-(3-fluorophenyl)-3-oxidanylidene-pent-4-enyl]-methyl-azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(E)-5-(3-fluorophenyl)-3-oxidanylidene-pent-4-enyl]-methyl-azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(E)-5-(3-fluorophenyl)-3-oxo-pent-4-enyl]-methyl-ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(E)-5-(3-fluorophenyl)-3-oxopent-4-enyl]-methylammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(E)-5-(3-fluorophenyl)-3-oxopent-4-enyl]-methylazanium Traditional Name: [(E)-5-(3-fluorophenyl)-3-keto-pent-4-enyl]-homopiperonyl-methyl-ammonium Formula: C21H23FNO3+ MolecularWeight: 356.410623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC2=C(C=C1)OCO2)CCC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CCC1=CC2=C(C=C1)OCO2)CCC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FNO3/c1-23(11-9-17-6-8-20-21(14-17)26-15-25-20)12-10-19(24)7-5-16-3-2-4-18(22)13-16/h2-8,13-14H,9-12,15H2,1H3/p+1/b7-5+