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

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethyl-ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethylazanium Traditional Name: benzyl-ethyl-[[6-keto-5-(piperonylcarbamoyl)-1H-pyridin-2-yl]methyl]ammonium Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-2-27(14-17-6-4-3-5-7-17)15-19-9-10-20(24(29)26-19)23(28)25-13-18-8-11-21-22(12-18)31-16-30-21/h3-12H,2,13-16H2,1H3,(H,25,28)(H,26,29)/p+1