4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methylchromen-2-one Traditional Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

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