1,3-benzodioxol-5-ylmethyl-(phenylmethyl)-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(phenylmethyl)-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-[oxo(propylamino)methyl]-2-furanyl]methyl]-(phenylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-benzyl-[[5-(propylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: benzyl-piperonyl-[[5-(propylcarbamoyl)-2-furyl]methyl]ammonium Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H26N2O4/c1-2-12-25-24(27)22-11-9-20(30-22)16-26(14-18-6-4-3-5-7-18)15-19-8-10-21-23(13-19)29-17-28-21/h3-11,13H,2,12,14-17H2,1H3,(H,25,27)/p+1