(2S)-1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(4-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-cumidino-2-keto-ethyl)piperidin-1-ium-2-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCC2C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC[C@H]2C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-12(2)13-6-8-14(9-7-13)19-16(21)11-20-10-4-3-5-15(20)17(18)22/h6-9,12,15H,3-5,10-11H2,1-2H3,(H2,18,22)(H,19,21)/p+1/t15-/m0/s1