5-chloranyl-N-(4-nitrophenyl)-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine

Systemtic Name: 5-chloranyl-N-(4-nitrophenyl)-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine Openeye Name: 5-chloro-N-(4-nitrophenyl)-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine CAS Name: 5-chloro-N-(4-nitrophenyl)-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinamine IUPAC Name: 5-chloro-N-(4-nitrophenyl)-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)amine Formula: C28H29ClN8O2+2 MolecularWeight: 545.03526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)NC6=CC=C(C=C6)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)NC6=CC=C(C=C6)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H29ClN8O2/c29-25-26(30-21-5-7-24(8-6-21)37(38)39)31-28(36-19-11-23(12-20-36)34-15-3-4-16-34)32-27(25)35-17-9-22(10-18-35)33-13-1-2-14-33/h5-12,17-20H,1-4,13-16H2,(H,30,31,32)/q+2