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

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-30-24(29)25(15-18-31-21-11-7-4-8-12-21)13-16-28(17-14-25)19-22-26-23(27-32-22)20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3/p+1