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

Systemtic Name: [(3R)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[2-(benzylamino)-2-oxo-ethyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[2-(benzylamino)-2-oxoethyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-[2-(benzylamino)-2-keto-ethyl]piperidin-1-ium-3-yl]methylammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C15H23N3O/c16-9-14-7-4-8-18(11-14)12-15(19)17-10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2,(H,17,19)/p+2/t14-/m1/s1