3-ethoxycarbonyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]quinoline-6-carboxylate

Systemtic Name: 3-ethoxycarbonyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]quinoline-6-carboxylate Openeye Name: 3-ethoxycarbonyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]quinoline-6-carboxylate CAS Name: 3-ethoxycarbonyl-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-quinolinecarboxylate IUPAC Name: 3-ethoxycarbonyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]quinoline-6-carboxylate Traditional Name: 3-carbethoxy-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]quinoline-6-carboxylate Formula: C19H23N3O5 MolecularWeight: 373.40302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CC[NH+](CC3)CCO)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CC[NH+](CC3)CCO)C(=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-2-27-19(26)15-12-20-16-4-3-13(18(24)25)11-14(16)17(15)22-7-5-21(6-8-22)9-10-23/h3-4,11-12,23H,2,5-10H2,1H3,(H,24,25)