4-oxidanylidene-N-(thiophen-2-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-(thiophen-2-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: 4-oxo-N-(2-thienylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: 4-oxo-N-(thiophen-2-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-(thiophen-2-ylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: 4-keto-N-(2-thenyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C14H12N3O2S+ MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C14H11N3O2S/c18-13(16-8-10-4-3-7-20-10)11-9-15-12-5-1-2-6-17(12)14(11)19/h1-7,9H,8H2,(H,16,18)/p+1