methyl 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxidanylidene-chromene-6-carboxylate

Systemtic Name: methyl 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxidanylidene-chromene-6-carboxylate Openeye Name: methyl 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxo-chromene-6-carboxylate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-oxo-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-oxochromene-6-carboxylate Traditional Name: 2-keto-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromene-6-carboxylic acid methyl ester Formula: C16H19N2O6S+ MolecularWeight: 367.39686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)OC)OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)OC)OC2=O

InChI

InChI=1S/C16H18N2O6S/c1-17-5-7-18(8-6-17)25(21,22)14-10-12-9-11(15(19)23-2)3-4-13(12)24-16(14)20/h3-4,9-10H,5-8H2,1-2H3/p+1