tert-butyl 3-[[(3E)-1-ethanoyl-3-(phenylmethylidene)pyrrolidin-1-ium-1-yl]carbonylamino]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(3E)-1-ethanoyl-3-(phenylmethylidene)pyrrolidin-1-ium-1-yl]carbonylamino]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[(3E)-1-acetyl-3-benzylidene-pyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylate CAS Name: 3-[[[(3E)-1-acetyl-3-(phenylmethylene)-1-pyrrolidin-1-iumyl]-oxomethyl]amino]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(3E)-1-acetyl-3-benzylidenepyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylate Traditional Name: 3-[[(3E)-1-acetyl-3-benzal-pyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylic acid tert-butyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCC(=CC2=CC=CC=C2)C1)C(=O)NC3CN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)[N+]1(CC/C(=C\C2=CC=CC=C2)/C1)C(=O)NC3CN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-16(26)25(11-10-18(15-25)12-17-8-6-5-7-9-17)20(27)23-19-13-24(14-19)21(28)29-22(2,3)4/h5-9,12,19H,10-11,13-15H2,1-4H3/p+1/b18-12+