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

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-16-5-6-18(3)21(12-16)26-9-7-25(8-10-26)15-20-14-23(27)28-22-13-17(2)11-19(4)24(20)22/h5-6,11-14H,7-10,15H2,1-4H3/p+1