1,3-benzodioxol-5-ylmethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: (2-hydroxy-3-methoxy-benzyl)-piperonyl-ammonium Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO4/c1-19-14-4-2-3-12(16(14)18)9-17-8-11-5-6-13-15(7-11)21-10-20-13/h2-7,17-18H,8-10H2,1H3/p+1