7-ethyl-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C24H30N2O3+2 MolecularWeight: 394.5066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N2O3/c1-3-18-6-9-22-20(15-24(27)29-23(22)14-18)17-26-12-10-25(11-13-26)16-19-4-7-21(28-2)8-5-19/h4-9,14-15H,3,10-13,16-17H2,1-2H3/p+2