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

Systemtic Name: ethyl (3S)-1-[1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[1-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H36N4O3+2 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H34N4O3/c1-2-30-24(29)20-9-6-14-28(17-20)21-12-15-27(16-13-21)18-23-25-22(26-31-23)11-10-19-7-4-3-5-8-19/h3-5,7-8,20-21H,2,6,9-18H2,1H3/p+2/t20-/m0/s1