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

Systemtic Name: dimethyl-[(1S)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[(3-nitro-2-pyridin-1-iumyl)amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-phenyl-ethyl]ammonium Formula: C15H20N4O2+2 MolecularWeight: 288.3449

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2/c1-18(2)14(12-7-4-3-5-8-12)11-17-15-13(19(20)21)9-6-10-16-15/h3-10,14H,11H2,1-2H3,(H,16,17)/p+2/t14-/m1/s1