(2S,3R)-N,N-diethyl-3-(4-methylphenyl)-1-oxidanidyl-2,4-diphenyl-3H-azet-1-ium-2-carboxamide

Systemtic Name: (2S,3R)-N,N-diethyl-3-(4-methylphenyl)-1-oxidanidyl-2,4-diphenyl-3H-azet-1-ium-2-carboxamide Openeye Name: (2S,3R)-N,N-diethyl-1-oxido-2,4-diphenyl-3-(p-tolyl)-3H-azet-1-ium-2-carboxamide CAS Name: (2S,3R)-N,N-diethyl-3-(4-methylphenyl)-1-oxido-2,4-diphenyl-3H-azet-1-ium-2-carboxamide IUPAC Name: (2S,3R)-N,N-diethyl-3-(4-methylphenyl)-1-oxido-2,4-diphenyl-3H-azet-1-ium-2-carboxamide Traditional Name: (2S,3R)-N,N-diethyl-1-oxido-2,4-diphenyl-3-(p-tolyl)-3H-azet-1-ium-2-carboxamide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)[C@]1([C@H](C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-4-28(5-2)26(30)27(23-14-10-7-11-15-23)24(21-18-16-20(3)17-19-21)25(29(27)31)22-12-8-6-9-13-22/h6-19,24H,4-5H2,1-3H3/t24-,27+/m0/s1