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

Systemtic Name: 2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl-diethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)ethyl-diethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)ethyl-diethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl-diethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 2-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)ethyl-diethyl-(4-nitrobenzyl)ammonium Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCN1C(=CC(=O)N(C1=O)C)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[N+](CC)(CCN1C(=CC(=O)N(C1=O)C)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N4O4/c1-5-23(6-2,14-16-7-9-17(10-8-16)22(26)27)12-11-21-15(3)13-18(24)20(4)19(21)25/h7-10,13H,5-6,11-12,14H2,1-4H3/q+1