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

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H23N2O4+ MolecularWeight: 379.42902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15-19(25)8-7-18-17(13-20(26)28-21(15)18)14-23-9-11-24(12-10-23)22(27)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3/p+1