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

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[(3-oxo-1-piperazinyl)methyl]-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 3-[(3-ketopiperazino)methyl]-2-(2-thienyl)cinchoninic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O

InChI

InChI=1S/C19H17N3O3S/c23-16-11-22(8-7-20-16)10-13-17(19(24)25)12-4-1-2-5-14(12)21-18(13)15-6-3-9-26-15/h1-6,9H,7-8,10-11H2,(H,20,23)(H,24,25)