1,3-benzodioxol-5-ylmethyl-[2-[3,4-bis(oxidanyl)phenyl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[3,4-bis(oxidanyl)phenyl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-dihydroxyphenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-dihydroxyphenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-dihydroxyphenyl)ethyl]azanium Traditional Name: 2-(3,4-dihydroxyphenyl)ethyl-piperonyl-ammonium Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H17NO4/c18-13-3-1-11(7-14(13)19)5-6-17-9-12-2-4-15-16(8-12)21-10-20-15/h1-4,7-8,17-19H,5-6,9-10H2/p+1