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

Systemtic Name: methyl 1-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-28-23(27)19-12-14-26(15-13-19)16-20-24-22(25-29-20)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3/p+1