8-methyl-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 8-methyl-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-6-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 7-hydroxy-8-methyl-6-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-coumarin Formula: C22H26N2O3+2 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+]3CC[NH+](CC3)C)C(=CC(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+]3CC[NH+](CC3)C)C(=CC(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-15-21(26)17(14-24-10-8-23(2)9-11-24)12-19-18(13-20(25)27-22(15)19)16-6-4-3-5-7-16/h3-7,12-13,26H,8-11,14H2,1-2H3/p+2