4-methylbenzenesulfonate; 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 4-methyl-1-[4-(4-methyl-1-quinolin-1-iumyl)butyl]quinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium Traditional Name: 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium ditosylate Formula: C38H40N2O6S2 MolecularWeight: 684.864

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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-].CC1=CC=[N+](C2=CC=CC=C12)CCCC[N+]3=CC=C(C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=[N+](C2=CC=CC=C12)CCCC[N+]3=CC=C(C4=CC=CC=C43)C

InChI

InChI=1S/C24H26N2.2C7H8O3S/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2