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

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [6-keto-5-(piperonylcarbamoyl)-1H-pyridin-2-yl]methyl-methyl-(3-thenyl)ammonium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-24(10-15-6-7-29-12-15)11-16-3-4-17(21(26)23-16)20(25)22-9-14-2-5-18-19(8-14)28-13-27-18/h2-8,12H,9-11,13H2,1H3,(H,22,25)(H,23,26)/p+1