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

Systemtic Name: 2-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl-dimethyl-[(3-nitrophenyl)methyl]azanium Openeye Name: 2-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)propyl-dimethyl-[(3-nitrophenyl)methyl]ammonium CAS Name: 2-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)propyl-dimethyl-[(3-nitrophenyl)methyl]ammonium IUPAC Name: 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)propyl-dimethyl-[(3-nitrophenyl)methyl]azanium Traditional Name: 2-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)propyl-dimethyl-(3-nitrobenzyl)ammonium Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1C(C)C[N+](C)(C)CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1C(C)C[N+](C)(C)CC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N4O4/c1-13-9-17(23)19(3)18(24)20(13)14(2)11-22(4,5)12-15-7-6-8-16(10-15)21(25)26/h6-10,14H,11-12H2,1-5H3/q+1