(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H16N5O3+ MolecularWeight: 350.35134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3)N=N1

InChI

InChI=1S/C18H15N5O3/c1-2-23-15-7-6-12(9-14(15)20-21-23)18(25)26-11-13-10-17(24)22-8-4-3-5-16(22)19-13/h3-10H,2,11H2,1H3/p+1