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

Systemtic Name: ethyl (3S)-1-[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3/c1-2-28-20(27)15-4-3-9-26(13-15)16-5-10-25(11-6-16)14-18-23-19(24-29-18)17-12-21-7-8-22-17/h7-8,12,15-16H,2-6,9-11,13-14H2,1H3/p+1/t15-/m0/s1