(5-bromanylthiophen-2-yl)methyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C15H17BrN3O3S+ MolecularWeight: 399.28278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C15H16BrN3O3S/c1-10(18(2)9-11-7-8-14(16)23-11)15(20)17-12-5-3-4-6-13(12)19(21)22/h3-8,10H,9H2,1-2H3,(H,17,20)/p+1/t10-/m1/s1