[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-yl]methyl-tert-butyl-(phenylmethyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-yl]methyl-tert-butyl-(phenylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-furyl]methyl-benzyl-tert-butyl-ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-furanyl]methyl-tert-butyl-(phenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-yl]methyl-benzyl-tert-butylazanium Traditional Name: benzyl-tert-butyl-[[5-(piperonylcarbamoyl)-2-furyl]methyl]ammonium Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O4/c1-25(2,3)27(15-18-7-5-4-6-8-18)16-20-10-12-22(31-20)24(28)26-14-19-9-11-21-23(13-19)30-17-29-21/h4-13H,14-17H2,1-3H3,(H,26,28)/p+1