tert-butyl-[N-(2-methylpyridin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate

Systemtic Name: tert-butyl-[N-(2-methylpyridin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate Openeye Name: tert-butyl-[N-(2-methyl-4-pyridyl)-C-(thiazol-2-ylammonio)carbonimidoyl]ammonium dinitrate CAS Name: tert-butyl-[(2-methyl-4-pyridinyl)imino-(2-thiazolylammonio)methyl]ammonium dinitrate IUPAC Name: tert-butyl-[N-(2-methylpyridin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate Traditional Name: tert-butyl-[N-(2-methyl-4-pyridyl)-C-(thiazol-2-ylammonio)carbonimidoyl]ammonium dinitrate Formula: C14H21N7O6S MolecularWeight: 415.42484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N=C([NH2+]C2=NC=CS2)[NH2+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=NC=CC(=C1)N=C([NH2+]C2=NC=CS2)[NH2+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C14H19N5S.2NO3/c1-10-9-11(5-6-15-10)17-12(19-14(2,3)4)18-13-16-7-8-20-13;2*2-1(3)4/h5-9H,1-4H3,(H2,15,16,17,18,19);;/q;2*-1/p+2