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

Systemtic Name: ethyl 4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-2-29-23(28)27-15-13-26(14-16-27)17-20-24-22(25-30-20)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,2,13-17H2,1H3/p+1