dimethyl-[(1S)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-phenyl-ethyl]ammonium Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2/c1-18(2)15(13-7-4-3-5-8-13)11-17-16(20)14-9-6-10-19(21)12-14/h3-10,12,15H,11H2,1-2H3,(H,17,20)/p+1/t15-/m1/s1