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

Systemtic Name: 4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)O

InChI

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