[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]ammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]azanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2-keto-5-nitro-1-pyridyl)methyl]-methyl-ammonium Formula: C16H17N4O3S+ MolecularWeight: 345.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+](C)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+](C)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c1-11(16-17-13-5-3-4-6-14(13)24-16)18(2)10-19-9-12(20(22)23)7-8-15(19)21/h3-9,11H,10H2,1-2H3/p+1/t11-/m1/s1