3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(2-hydroxyethyl)piperazino]methyl]-2-(2-thienyl)cinchoninic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H23N3O3S/c25-12-11-23-7-9-24(10-8-23)14-16-19(21(26)27)15-4-1-2-5-17(15)22-20(16)18-6-3-13-28-18/h1-6,13,25H,7-12,14H2,(H,26,27)