1,3-benzodioxol-5-ylmethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: piperonyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC)OC

InChI

InChI=1S/C18H21NO5/c1-20-15-7-5-13(17(21-2)18(15)22-3)10-19-9-12-4-6-14-16(8-12)24-11-23-14/h4-8,19H,9-11H2,1-3H3/p+1