(2-chloranyl-5-nitro-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C16H19ClN3O3S+ MolecularWeight: 368.85836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-11(15-4-3-7-24-15)18-16(21)10-19(2)9-12-8-13(20(22)23)5-6-14(12)17/h3-8,11H,9-10H2,1-2H3,(H,18,21)/p+1/t11-/m1/s1