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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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