tert-butyl N-[1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperidin-1-ium-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]piperidin-1-ium-4-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(N-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]carbamate CAS Name: N-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-4-piperidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]piperidin-1-ium-4-yl]carbamate Traditional Name: N-[1-[2-(N-isopropylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]carbamic acid tert-butyl ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-16(2)24(18-9-7-6-8-10-18)19(25)15-23-13-11-17(12-14-23)22-20(26)27-21(3,4)5/h6-10,16-17H,11-15H2,1-5H3,(H,22,26)/p+1