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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C18H25N2O3+ MolecularWeight: 317.4027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CCO)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CCO)C

InChI

InChI=1S/C18H24N2O3/c1-13-9-16-15(11-18(22)23-17(16)10-14(13)2)12-20-5-3-19(4-6-20)7-8-21/h9-11,21H,3-8,12H2,1-2H3/p+1