ethyl 2-[(2R)-1-(3-methanoyl-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2R)-1-(3-methanoyl-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-1-(3-formyl-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-(3-formyl-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(3-formyl-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(3-formyl-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=O

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCCN1C2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=O

InChI

InChI=1S/C18H20N4O5/c1-3-27-14(24)9-13-17(25)19-6-8-21(13)16-12(10-23)18(26)22-7-4-5-11(2)15(22)20-16/h4-5,7,10,13H,3,6,8-9H2,1-2H3,(H,19,25)/p+1/t13-/m1/s1