N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-piperonyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C16H14N3O4S+ MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13N3O4S/c1-9-7-24-16-18-6-11(15(21)19(9)16)14(20)17-5-10-2-3-12-13(4-10)23-8-22-12/h2-4,6-7H,5,8H2,1H3,(H,17,20)/p+1