6-chloranyl-3-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

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