ethyl 1-[6-(4-methylthiophen-2-yl)-3-(1,2-oxazol-3-ylmethylcarbamoyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-methylthiophen-2-yl)-3-(1,2-oxazol-3-ylmethylcarbamoyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(isoxazol-3-ylmethylcarbamoyl)-6-(4-methyl-2-thienyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-isoxazolylmethylamino)-oxomethyl]-6-(4-methyl-2-thiophenyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-methylthiophen-2-yl)-3-(1,2-oxazol-3-ylmethylcarbamoyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(isoxazol-3-ylmethylcarbamoyl)-6-(4-methyl-2-thienyl)pyridin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC(=CS3)C)C(=O)NCC4=NOC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC(=CS3)C)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C23H26N4O4S/c1-3-30-23(29)16-6-9-27(10-7-16)21-18(22(28)24-13-17-8-11-31-26-17)4-5-19(25-21)20-12-15(2)14-32-20/h4-5,8,11-12,14,16H,3,6-7,9-10,13H2,1-2H3,(H,24,28)/p+1