[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-keto-ethyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H25N3O/c1-2-19-10-6-9-14(19)12-18-16(20)15(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)/p+2/t14-,15-/m0/s1