(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-3-ylethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-3-ylethanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=CSC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C16H14N2O3S/c1-11-2-3-14-17-13(7-15(19)18(14)8-11)9-21-16(20)6-12-4-5-22-10-12/h2-5,7-8,10H,6,9H2,1H3/p+1