ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2-carboxylic acid ethyl ester Formula: C28H33N2O7+ MolecularWeight: 509.57082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)CN5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCCO4)CN5CC[NH+](CC5)C)O

InChI

InChI=1S/C28H32N2O7/c1-4-17-14-19-25(32)23(18-6-7-21-22(15-18)36-13-12-35-21)27(28(33)34-5-2)37-26(19)20(24(17)31)16-30-10-8-29(3)9-11-30/h6-7,14-15,31H,4-5,8-13,16H2,1-3H3/p+1