4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CC[NH+](CC3)C)C(=CC(=O)O2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CC[NH+](CC3)C)C(=CC(=O)O2)C4=CC=C(C=C4)OC

InChI

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