(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C17H13N4O3S+ MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=C([NH+]=CC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=C([NH+]=CC=C4)N

InChI

InChI=1S/C17H12N4O3S/c18-15-11(4-3-7-19-15)16(23)24-9-10-8-14(22)21-12-5-1-2-6-13(12)25-17(21)20-10/h1-8H,9H2,(H2,18,19)/p+1