N2,N6-bis(4-methylphenyl)-3,5-dinitro-pyridin-1-ium-2,4,6-triamine

Systemtic Name: N2,N6-bis(4-methylphenyl)-3,5-dinitro-pyridin-1-ium-2,4,6-triamine Openeye Name: 3,5-dinitro-N2,N6-bis(p-tolyl)pyridin-1-ium-2,4,6-triamine CAS Name: N2,N6-bis(4-methylphenyl)-3,5-dinitropyridin-1-ium-2,4,6-triamine IUPAC Name: 2-N,6-N-bis(4-methylphenyl)-3,5-dinitropyridin-1-ium-2,4,6-triamine Traditional Name: [4-amino-3,5-dinitro-6-(p-toluidino)pyridin-1-ium-2-yl]-(p-tolyl)amine Formula: C19H19N6O4+ MolecularWeight: 395.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(C(=[NH+]2)NC3=CC=C(C=C3)C)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(C(=[NH+]2)NC3=CC=C(C=C3)C)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-11-3-7-13(8-4-11)21-18-16(24(26)27)15(20)17(25(28)29)19(23-18)22-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H4,20,21,22,23)/p+1