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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-methyl-[(E)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-methyl-[(E)-5-(4-nitrophenyl)-3-oxo-pent-4-enyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-methyl-[(E)-5-(4-nitrophenyl)-3-oxopent-4-enyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-methyl-[(E)-5-(4-nitrophenyl)-3-oxopent-4-enyl]azanium Traditional Name: homopiperonyl-[(E)-3-keto-5-(4-nitrophenyl)pent-4-enyl]-methyl-ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-22(12-10-17-5-9-20-21(14-17)28-15-27-20)13-11-19(24)8-4-16-2-6-18(7-3-16)23(25)26/h2-9,14H,10-13,15H2,1H3/p+1/b8-4+