[(1R)-1-(4-ethylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[(3-nitro-2-pyridin-1-iumyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium Formula: C17H24N4O2+2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C17H22N4O2/c1-4-13-7-9-14(10-8-13)16(20(2)3)12-19-17-15(21(22)23)6-5-11-18-17/h5-11,16H,4,12H2,1-3H3,(H,18,19)/p+2/t16-/m0/s1