tert-butyl N-[[1-(diphenylmethyl)azetidin-1-ium-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-(diphenylmethyl)azetidin-1-ium-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(1-benzhydrylazetidin-1-ium-3-yl)methyl]carbamate CAS Name: N-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1-benzhydrylazetidin-1-ium-3-yl)methyl]carbamate Traditional Name: N-[(1-benzhydrylazetidin-1-ium-3-yl)methyl]carbamic acid tert-butyl ester Formula: C22H29N2O2+ MolecularWeight: 353.47786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-22(2,3)26-21(25)23-14-17-15-24(16-17)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3,(H,23,25)/p+1