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1,3-benzodioxol-5-ylmethyl-methyl-phenacyl-(2-phenylethanoyl)azanium

1,3-benzodioxol-5-ylmethyl-methyl-phenacyl-(2-phenylethanoyl)azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-methyl-phenacyl-(2-phenylethanoyl)azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-methyl-phenacyl-(2-phenylacetyl)ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-methyl-(1-oxo-2-phenylethyl)-phenacylammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-methyl-phenacyl-(2-phenylacetyl)azanium
Traditional Name:methyl-phenacyl-(2-phenylacetyl)-piperonyl-ammonium
Formula: C25H24NO4+
MolecularWeight: 402.46236
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H24NO4/c1-26(17-22(27)21-10-6-3-7-11-21,25(28)15-19-8-4-2-5-9-19)16-20-12-13-23-24(14-20)30-18-29-23/h2-14H,15-18H2,1H3/q+1


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