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

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-12(2)15-6-4-5-7-16(15)20-18(23)13(3)21-10-8-14(9-11-21)17(19)22/h4-7,12-14H,8-11H2,1-3H3,(H2,19,22)(H,20,23)/p+1/t13-/m0/s1