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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-15-11-20-18(13-19(15)23)17(12-21(26)28-20)14-24-7-9-25(10-8-24)22(27)16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3/p+1