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

Systemtic Name: 3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(3-hydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 3-[[4-(3-hydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(3-hydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(3-hydroxypropyl)-3-keto-piperazino]methyl]-2-(2-thienyl)cinchoninic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O)CCCO

Isomeric SMILES

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)O)CCCO

InChI

InChI=1S/C22H23N3O4S/c26-11-4-8-25-10-9-24(14-19(25)27)13-16-20(22(28)29)15-5-1-2-6-17(15)23-21(16)18-7-3-12-30-18/h1-3,5-7,12,26H,4,8-11,13-14H2,(H,28,29)