2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)ethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)ethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 2-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)ethyl-dimethyl-(4-nitrobenzyl)ammonium Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CC[N+](C)(C)CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CC[N+](C)(C)CC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N4O4/c1-13-11-16(22)18(2)17(23)19(13)9-10-21(3,4)12-14-5-7-15(8-6-14)20(24)25/h5-8,11H,9-10,12H2,1-4H3/q+1