[(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C17H20ClN3O2/c1-13(17(22)20-16-9-8-14(18)12-19-16)21(2)10-11-23-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,19,20,22)/p+1/t13-/m0/s1