dimethyl-[(1S)-2-[(5-nitropyridin-2-yl)amino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(5-nitropyridin-2-yl)amino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(5-nitro-2-pyridyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(5-nitro-2-pyridinyl)amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(5-nitropyridin-2-yl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(5-nitro-2-pyridyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC=C(C=C1)[N+](=O)[O-])C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC=C(C=C1)[N+](=O)[O-])C2=CSC=C2

InChI

InChI=1S/C13H16N4O2S/c1-16(2)12(10-5-6-20-9-10)8-15-13-4-3-11(7-14-13)17(18)19/h3-7,9,12H,8H2,1-2H3,(H,14,15)/p+1/t12-/m1/s1