[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butylazanium Traditional Name: benzyl-butyl-[[6-keto-5-(piperonylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H29N3O4/c1-2-3-13-29(16-19-7-5-4-6-8-19)17-21-10-11-22(26(31)28-21)25(30)27-15-20-9-12-23-24(14-20)33-18-32-23/h4-12,14H,2-3,13,15-18H2,1H3,(H,27,30)(H,28,31)/p+1