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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

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