4-[[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C24H27N2O5+ MolecularWeight: 423.48158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C24H26N2O5/c1-16-4-6-19-17(13-23(27)31-22(19)12-16)15-25-8-10-26(11-9-25)24(28)20-7-5-18(29-2)14-21(20)30-3/h4-7,12-14H,8-11,15H2,1-3H3/p+1