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

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C24H29N2O2+ MolecularWeight: 377.49926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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