7,8-dimethyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24N2O3/c1-16-8-9-20-19(14-21(26)28-22(20)17(16)2)15-24-10-12-25(13-11-24)23(27)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1