4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2/c1-15-5-7-20-18(12-22(27)28-23(20)17(15)3)14-25-8-10-26(11-9-25)21-13-19(24)6-4-16(21)2/h4-7,12-13H,8-11,14H2,1-3H3/p+1