4-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]benzoate IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[methyl(piperonyl)ammonio]methyl]benzoate Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO4/c1-18(9-12-2-5-14(6-3-12)17(19)20)10-13-4-7-15-16(8-13)22-11-21-15/h2-8H,9-11H2,1H3,(H,19,20)