6-chloranyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

InChI

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