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

Systemtic Name: methyl 5-[4-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H24N4O5S2+2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

InChI

InChI=1S/C20H22N4O5S2/c1-14-3-4-17-21-16(10-18(25)24(17)11-14)12-22-5-7-23(8-6-22)31(27,28)19-9-15(13-30-19)20(26)29-2/h3-4,9-11,13H,5-8,12H2,1-2H3/p+2