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

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(4-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(2-cumidino-2-keto-ethyl)piperidin-1-ium-3-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-12(2)13-5-7-15(8-6-13)19-16(21)11-20-9-3-4-14(10-20)17(18)22/h5-8,12,14H,3-4,9-11H2,1-2H3,(H2,18,22)(H,19,21)/p+1/t14-/m1/s1