1-[[2,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dinitrate

Systemtic Name: 1-[[2,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dinitrate Openeye Name: 1-[[2,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dinitrate CAS Name: 1-[[2,5-dimethyl-4-(1-pyridin-1-iumylmethyl)phenyl]methyl]pyridin-1-ium dinitrate IUPAC Name: 1-[[2,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dinitrate Traditional Name: 1-[2,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)benzyl]pyridin-1-ium dinitrate Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[N+]2=CC=CC=C2)C)C[N+]3=CC=CC=C3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C[N+]2=CC=CC=C2)C)C[N+]3=CC=CC=C3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H22N2.2NO3/c1-17-13-20(16-22-11-7-4-8-12-22)18(2)14-19(17)15-21-9-5-3-6-10-21;2*2-1(3)4/h3-14H,15-16H2,1-2H3;;/q+2;2*-1