ethyl 1-[(R)-[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]-pyridin-3-yl-methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(R)-[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]-pyridin-3-yl-methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(R)-[2-(furan-2-carbonylamino)-4,5-dimethyl-3-thienyl]-(3-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]-(3-pyridinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]-(3-pyridyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)/p+1/t22-/m1/s1