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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-coumarin Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=C(C=C4)OC)OC)O

InChI

InChI=1S/C24H28N2O5/c1-4-25-9-11-26(12-10-25)15-19-20(27)7-5-17-13-18(24(28)31-23(17)19)16-6-8-21(29-2)22(14-16)30-3/h5-8,13-14,27H,4,9-12,15H2,1-3H3/p+1