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

Systemtic Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C18H26N2O3+2 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H24N2O3/c1-2-14-3-4-17-16(11-14)15(12-18(22)23-17)13-20-7-5-19(6-8-20)9-10-21/h3-4,11-12,21H,2,5-10,13H2,1H3/p+2