6-chloranyl-5,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-5,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-5,7-dimethyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-5,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-5,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN2O2/c1-15-12-19-21(16(2)22(15)23)17(13-20(26)27-19)14-24-8-10-25(11-9-24)18-6-4-3-5-7-18/h3-7,12-13H,8-11,14H2,1-2H3/p+1