4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-3-phenyl-chromen-2-one

Systemtic Name: 4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-3-phenyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-phenyl-chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-phenylchromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-phenyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CC[NH+](CC3)C)O)C4=CC=CC=C4

InChI

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