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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C24H28N2O3/c1-4-28-22-8-6-5-7-21(22)26-11-9-25(10-12-26)16-19-15-24(27)29-23-14-18(3)17(2)13-20(19)23/h5-8,13-15H,4,9-12,16H2,1-3H3/p+1