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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)ammonio]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)ammonio]acetate IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[piperonyl(2-thenyl)ammonio]acetate Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=CS3)CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=CS3)CC(=O)[O-]

InChI

InChI=1S/C15H15NO4S/c17-15(18)9-16(8-12-2-1-5-21-12)7-11-3-4-13-14(6-11)20-10-19-13/h1-6H,7-10H2,(H,17,18)