3-methyl-7-[(3-nitrophenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-methyl-7-[(3-nitrophenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(3-nitrophenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[(3-nitrophenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(3-nitrophenoxy)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(3-nitrophenoxy)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H12N3O4S+ MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-9-8-22-14-15-10(5-13(18)16(9)14)7-21-12-4-2-3-11(6-12)17(19)20/h2-6,8H,7H2,1H3/p+1