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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O)C

InChI

InChI=1S/C22H24N2O3/c1-15-4-3-5-20(16(15)2)24-10-8-23(9-11-24)14-17-12-22(26)27-21-13-18(25)6-7-19(17)21/h3-7,12-13,25H,8-11,14H2,1-2H3/p+1