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

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-thiophen-3-yl-quinoline-4-carboxylic acid Openeye Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-(3-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[(3-oxo-1-piperazinyl)methyl]-2-(3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-[(3-oxopiperazin-1-yl)methyl]-2-thiophen-3-ylquinoline-4-carboxylic acid Traditional Name: 3-[(3-ketopiperazino)methyl]-2-(3-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=CSC=C4)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CSC=C4)C(=O)O

InChI

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