[(3R)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-(2-anilino-2-oxoethyl)-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-(2-anilino-2-oxoethyl)piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-(2-anilino-2-keto-ethyl)piperidin-1-ium-3-yl]methylammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C14H21N3O/c15-9-12-5-4-8-17(10-12)11-14(18)16-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,15H2,(H,16,18)/p+2/t12-/m1/s1