tert-butyl N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-yl)carbonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-yl)carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[(1-isopropylpiperidin-1-ium-1-carbonyl)amino]-1-phenyl-ethyl]carbamate CAS Name: N-[(1R)-2-[[oxo-(1-propan-2-yl-1-piperidin-1-iumyl)methyl]amino]-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-carbonyl)amino]ethyl]carbamate Traditional Name: N-[(1R)-2-[(1-isopropylpiperidin-1-ium-1-carbonyl)amino]-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCCCC1)C(=O)NCC(C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[N+]1(CCCCC1)C(=O)NC[C@@H](C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O3/c1-17(2)25(14-10-7-11-15-25)20(26)23-16-19(18-12-8-6-9-13-18)24-21(27)28-22(3,4)5/h6,8-9,12-13,17,19H,7,10-11,14-16H2,1-5H3,(H-,23,24,26,27)/p+1/t19-/m0/s1