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

Systemtic Name: 1-ethyl-N-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-N-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate CAS Name: 1-ethyl-N-[4-[[(1-ethyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]-6-quinolin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-N-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-N-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide ditosylate Formula: C44H42N4O8S2 MolecularWeight: 818.95628

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)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)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H26N4O2.2C7H8O3S/c1-3-33-17-5-7-22-19-24(11-15-27(22)33)30(36)31-25-12-9-21(10-13-25)29(35)32-26-14-16-28-23(20-26)8-6-18-34(28)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)