2-piperazine-1,4-diium-1-ylethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-piperazine-1,4-diium-1-ylethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-piperazine-1,4-diium-1-ylethyl 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid 2-(1-piperazine-1,4-diiumyl)ethyl ester IUPAC Name: 2-piperazine-1,4-diium-1-ylethyl 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-chromene-3-carboxylic acid 2-piperazine-1,4-diium-1-ylethyl ester Formula: C17H22N2O5+2 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C17H20N2O5/c1-22-14-4-2-3-12-11-13(17(21)24-15(12)14)16(20)23-10-9-19-7-5-18-6-8-19/h2-4,11,18H,5-10H2,1H3/p+2