[(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-(4-azaniumyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-(4-ammonio-1-piperidinyl)-2-oxo-1-phenylethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-(4-azaniumylpiperidin-1-yl)-2-oxo-1-phenylethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-(4-ammoniopiperidino)-2-keto-1-phenyl-ethyl]-tert-butyl-ethyl-ammonium Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+])C(C)(C)C

Isomeric SMILES

CC[NH+]([C@@H](C1=CC=CC=C1)C(=O)N2CCC(CC2)[NH3+])C(C)(C)C

InChI

InChI=1S/C19H31N3O/c1-5-22(19(2,3)4)17(15-9-7-6-8-10-15)18(23)21-13-11-16(20)12-14-21/h6-10,16-17H,5,11-14,20H2,1-4H3/p+2/t17-/m0/s1