5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-N-phenyl-pyrimidin-4-amine

Systemtic Name: 5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-N-phenyl-pyrimidin-4-amine Openeye Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-N-phenyl-pyrimidin-4-amine CAS Name: 5-chloro-2,6-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-N-phenyl-4-pyrimidinamine IUPAC Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-N-phenylpyrimidin-4-amine Traditional Name: [1-[4-anilino-5-chloro-6-[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-2-yl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C24H26ClN7+2 MolecularWeight: 447.96314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)NC4=CC=CC=C4)Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H26ClN7/c1-29(2)19-10-14-31(15-11-19)23-21(25)22(26-18-8-6-5-7-9-18)27-24(28-23)32-16-12-20(13-17-32)30(3)4/h5-17H,1-4H3,(H,26,27,28)/q+2