3-(3,4-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methylchromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-coumarin Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-16-18-5-6-20(29)19(15-27-10-8-26(9-11-27)12-13-28)24(18)33-25(30)23(16)17-4-7-21(31-2)22(14-17)32-3/h4-7,14,28-29H,8-13,15H2,1-3H3/p+1