methyl 2-[4,7-dimethyl-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethyl-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-2-oxidanylidene-chromen-3-yl]ethanoate Openeye Name: methyl 2-[5-hydroxy-4,7-dimethyl-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-chromen-3-yl]acetate CAS Name: 2-[5-hydroxy-4,7-dimethyl-6,8-bis[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-hydroxy-4,7-dimethyl-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxochromen-3-yl]acetate Traditional Name: 2-[5-hydroxy-2-keto-4,7-dimethyl-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-3-yl]acetic acid methyl ester Formula: C26H40N4O5+2 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C(=C(C(=C2CN3CC[NH+](CC3)C)C)CN4CC[NH+](CC4)C)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C(=C(C(=C2CN3CC[NH+](CC3)C)C)CN4CC[NH+](CC4)C)O)CC(=O)OC

InChI

InChI=1S/C26H38N4O5/c1-17-20(15-29-10-6-27(3)7-11-29)24(32)23-18(2)19(14-22(31)34-5)26(33)35-25(23)21(17)16-30-12-8-28(4)9-13-30/h32H,6-16H2,1-5H3/p+2