2-[1-(2,6-dimethylphenyl)-2-ethyl-2-(1,3-oxazol-2-yl)-4,5-diphenyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2,6-dimethylphenyl)-2-ethyl-2-(1,3-oxazol-2-yl)-4,5-diphenyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2,6-dimethylphenyl)-2-ethyl-2-oxazol-2-yl-4,5-diphenyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2,6-dimethylphenyl)-2-ethyl-2-(2-oxazolyl)-4,5-diphenyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)-2-ethyl-2-(1,3-oxazol-2-yl)-4,5-diphenylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2,6-dimethylphenyl)-2-ethyl-2-oxazol-2-yl-4,5-diphenyl-piperazin-1-ium-1-yl]acetamide Formula: C31H35N4O2+ MolecularWeight: 495.6352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(C[N+]1(CC(=O)N)C2=C(C=CC=C2C)C)C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CO5

Isomeric SMILES

CCC1(CN(C(C[N+]1(CC(=O)N)C2=C(C=CC=C2C)C)C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CO5

InChI

InChI=1S/C31H34N4O2/c1-4-31(30-33-18-19-37-30)22-34(26-16-9-6-10-17-26)27(25-14-7-5-8-15-25)20-35(31,21-28(32)36)29-23(2)12-11-13-24(29)3/h5-19,27H,4,20-22H2,1-3H3,(H-,32,36)/p+1