[5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)azanide

Systemtic Name: [5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)azanide Openeye Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)azanide CAS Name: [5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinyl]-(4-nitrophenyl)azanide IUPAC Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)azanide Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)azanide Formula: C28H28ClN8O2+ MolecularWeight: 544.02732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=NC(=NC(=C3Cl)[N-]C4=CC=C(C=C4)[N+](=O)[O-])[N+]5=CC=C(C=C5)N6CCCC6

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=NC(=NC(=C3Cl)[N-]C4=CC=C(C=C4)[N+](=O)[O-])[N+]5=CC=C(C=C5)N6CCCC6

InChI

InChI=1S/C28H28ClN8O2/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/q+1