dimethyl-[(1R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[(3-nitro-2-pyridin-1-iumyl)amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C13H18N4O2S+2 MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=CC=[NH+]1)[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=CC=[NH+]1)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H16N4O2S/c1-16(2)11(12-6-4-8-20-12)9-15-13-10(17(18)19)5-3-7-14-13/h3-8,11H,9H2,1-2H3,(H,14,15)/p+2/t11-/m1/s1