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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C4=CC(=C(C=C4)OC)OC

InChI

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