ethyl (3S)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)-6-thiophen-2-yl-pyridin-1-ium-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)-6-thiophen-2-yl-pyridin-1-ium-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)-6-(2-thienyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(2-imidazo[1,2-a]pyridinylmethylamino)-oxomethyl]-6-thiophen-2-yl-2-pyridin-1-iumyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)-6-thiophen-2-ylpyridin-1-ium-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)-6-(2-thienyl)pyridin-1-ium-2-yl]nipecotic acid ethyl ester Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NCC4=CN5C=CC=CC5=N4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)NCC4=CN5C=CC=CC5=N4

InChI

InChI=1S/C26H27N5O3S/c1-2-34-26(33)18-7-5-13-31(16-18)24-20(10-11-21(29-24)22-8-6-14-35-22)25(32)27-15-19-17-30-12-4-3-9-23(30)28-19/h3-4,6,8-12,14,17-18H,2,5,7,13,15-16H2,1H3,(H,27,32)/p+1/t18-/m0/s1