4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium; hydrogen sulfate

Systemtic Name: 4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium; hydrogen sulfate Openeye Name: 4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium; hydrogen sulfate CAS Name: 4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium; hydrogen sulfate IUPAC Name: 4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium; hydrogen sulfate Traditional Name: 4-[bis(2,4-dinitrophenyl)methyl]-1-methyl-2,3-dihydropyridin-3-ylium bisulfate Formula: C19H15N5O12S MolecularWeight: 537.4137

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[C+]=C(C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

CN1C[C+]=C(C=C1)C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C19H14N5O8.H2O4S/c1-20-8-6-12(7-9-20)19(15-4-2-13(21(25)26)10-17(15)23(29)30)16-5-3-14(22(27)28)11-18(16)24(31)32;1-5(2,3)4/h2-6,8,10-11,19H,9H2,1H3;(H2,1,2,3,4)/q+1;/p-1