4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C)C

InChI

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