1-[(6-nitro-2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(6-nitro-2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-nitro-2-(2-thienyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(6-nitro-2-thiophen-2-yl-3-imidazo[1,2-a]pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-nitro-2-(2-thienyl)imidazo[1,2-a]pyridin-3-yl]methyl]isonipecotic acid Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H18N4O4S/c23-18(24)12-5-7-20(8-6-12)11-14-17(15-2-1-9-27-15)19-16-4-3-13(22(25)26)10-21(14)16/h1-4,9-10,12H,5-8,11H2,(H,23,24)