N2,N5-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate

Systemtic Name: N2,N5-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate Openeye Name: N2,N5-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methyleneamino]pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate CAS Name: N2,N5-bis[(E)-[4-(1-methyl-2-imidazo[1,2-a]pyridin-4-iumyl)phenyl]methylideneamino]pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate IUPAC Name: 2-N,5-N-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate Traditional Name: N,N'-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)benzylidene]amino]isocinchomeronamide ditosylate Formula: C51H45N9O8S2 MolecularWeight: 976.0885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NNC(=O)C4=CN=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)/C=N/NC(=O)C4=CN=C(C=C4)C(=O)N/N=C/C5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C

InChI

InChI=1S/C37H29N9O2.2C7H8O3S/c1-43-32(24-45-19-5-3-7-34(43)45)28-13-9-26(10-14-28)21-39-41-36(47)30-17-18-31(38-23-30)37(48)42-40-22-27-11-15-29(16-12-27)33-25-46-20-6-4-8-35(46)44(33)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-25H,1-2H3;2*2-5H,1H3,(H,8,9,10)/b39-21+,40-22+;;