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

Systemtic Name: [(1S)-1-(4-methoxyphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-methoxyphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-methoxyphenyl)-2-[(3-nitro-2-pyridin-1-iumyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-methoxyphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-methoxyphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium Formula: C16H22N4O3+2 MolecularWeight: 318.37088

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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=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-19(2)15(12-6-8-13(23-3)9-7-12)11-18-16-14(20(21)22)5-4-10-17-16/h4-10,15H,11H2,1-3H3,(H,17,18)/p+2/t15-/m1/s1