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

Systemtic Name: 3-methyl-5-oxidanylidene-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-5-oxo-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-11-10-22-16-18-9-13(15(21)19(11)16)14(20)17-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,20)/p+1