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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C24H28N2O2/c1-17-4-6-19(3)20(12-17)15-25-8-10-26(11-9-25)16-21-14-24(27)28-23-13-18(2)5-7-22(21)23/h4-7,12-14H,8-11,15-16H2,1-3H3/p+1