dimethyl-[(1S)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C[N+](=CC=C1)[O-])C2=CSC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-16(2)13(12-5-7-20-10-12)8-15-14(18)11-4-3-6-17(19)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,15,18)/p+1/t13-/m1/s1