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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CC[NH+](CC3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-15-21(16-4-6-17(28-3)7-5-16)22(27)18-8-9-20(26)19(23(18)29-15)14-25-12-10-24(2)11-13-25/h4-9,26H,10-14H2,1-3H3/p+2