4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H24N2O4/c1-16(26)17-3-5-19(6-4-17)25-11-9-24(10-12-25)15-18-13-23(27)29-22-14-20(28-2)7-8-21(18)22/h3-8,13-14H,9-12,15H2,1-2H3/p+1