4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-7-carboxylic acid

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-7-carboxylic acid Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-7-carboxylic acid CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-methyl-7-quinolinecarboxylic acid IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methylquinoline-7-carboxylic acid Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-methyl-quinoline-7-carboxylic acid Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H21N3O3/c1-12-10-16(20-6-4-19(5-7-20)8-9-21)14-3-2-13(17(22)23)11-15(14)18-12/h2-3,10-11,21H,4-9H2,1H3,(H,22,23)/p+1