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

Systemtic Name: 3-(4-methoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C22H26N2O4+2 MolecularWeight: 382.45284

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-23-9-11-24(12-10-23)14-19-20(25)8-5-16-13-18(22(26)28-21(16)19)15-3-6-17(27-2)7-4-15/h3-8,13,25H,9-12,14H2,1-2H3/p+2