N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate

Systemtic Name: N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate Openeye Name: N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate CAS Name: N-(1-ethyl-6-quinolin-1-iumyl)-4-[4-[[(1-ethyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide; 4-methylbenzenesulfonate IUPAC Name: N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate Traditional Name: N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide ditosylate Formula: C50H46N4O8S2 MolecularWeight: 895.05224

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-29-23-31(17-19-33(29)39)37-35(41)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36(42)38-32-18-20-34-30(24-32)8-6-22-40(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)