3-(2,5-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C24H30N2O5+2 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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