2-[1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(o-tolylmethyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(2-methylbenzyl)-piperonyl-ammonio]acetate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC3=C(C=C2)OCO3)CC(=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-13-4-2-3-5-15(13)10-19(11-18(20)21)9-14-6-7-16-17(8-14)23-12-22-16/h2-8H,9-12H2,1H3,(H,20,21)