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

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-(1-benzothiophen-2-ylmethyl)-methyl-azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(benzothiophen-2-ylmethyl)-methyl-ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-(1-benzothiophen-2-ylmethyl)-methylammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(1-benzothiophen-2-ylmethyl)-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[[6-keto-5-(piperonylcarbamoyl)-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C25H24N3O4S+ MolecularWeight: 462.54076

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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=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O4S/c1-28(14-19-11-17-4-2-3-5-23(17)33-19)13-18-7-8-20(25(30)27-18)24(29)26-12-16-6-9-21-22(10-16)32-15-31-21/h2-11H,12-15H2,1H3,(H,26,29)(H,27,30)/p+1