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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C23H28N2O5+2 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)14-18-19(26)6-4-16-12-17(23(27)30-22(16)18)15-5-7-20(28-2)21(13-15)29-3/h4-7,12-13,26H,8-11,14H2,1-3H3/p+2