N-(6-butyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C20H19N4O2S+ MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O

InChI

InChI=1S/C20H18N4O2S/c1-2-3-6-13-8-9-15-16(11-13)27-20(22-15)23-18(25)14-12-21-17-7-4-5-10-24(17)19(14)26/h4-5,7-12H,2-3,6H2,1H3,(H,22,23,25)/p+1