2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3-yl]carbonyloxyethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3-yl]carbonyloxyethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carbonyl]oxyethyl]-methyl-ammonium CAS Name: 2-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinyl]-oxomethoxy]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carbonyl]oxyethyl]-methylazanium Traditional Name: benzyl-[2-[5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)nicotinoyl]oxyethyl]-methyl-ammonium Formula: C26H28N3O6+ MolecularWeight: 478.51702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3/p+1