1,3-benzodioxol-5-ylmethyl-[2-(4-methoxyphenyl)ethanoyl]-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-methoxyphenyl)ethanoyl]-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-methoxyphenyl)acetyl]-[2-(4-methoxyphenyl)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-methoxyphenyl)-1-oxoethyl]-[2-(4-methoxyphenyl)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-methoxyphenyl)acetyl]-[2-(4-methoxyphenyl)-2-oxoethyl]-methylazanium Traditional Name: [2-keto-2-(4-methoxyphenyl)ethyl]-[2-(4-methoxyphenyl)acetyl]-methyl-piperonyl-ammonium Formula: C27H28NO6+ MolecularWeight: 462.51432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC1=CC2=C(C=C1)OCO2)(CC(=O)C3=CC=C(C=C3)OC)C(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[N+](CC1=CC2=C(C=C1)OCO2)(CC(=O)C3=CC=C(C=C3)OC)C(=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28NO6/c1-28(16-20-6-13-25-26(14-20)34-18-33-25,17-24(29)21-7-11-23(32-3)12-8-21)27(30)15-19-4-9-22(31-2)10-5-19/h4-14H,15-18H2,1-3H3/q+1