(3R)-1-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-cumidino-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-12(2)14-6-8-16(9-7-14)20-18(23)13(3)21-10-4-5-15(11-21)17(19)22/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H2,19,22)(H,20,23)/p+1/t13-,15+/m0/s1