ethyl (3S)-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H28N4O3S/c1-2-26-20(25)15-5-3-9-24(13-15)16-7-10-23(11-8-16)14-18-21-19(22-27-18)17-6-4-12-28-17/h4,6,12,15-16H,2-3,5,7-11,13-14H2,1H3/p+1/t15-/m0/s1