4-methylbenzenesulfonate; [4-[(1-methylpyridin-1-ium-2-yl)methoxy]phenyl] N,N-dimethylcarbamate

Systemtic Name: 4-methylbenzenesulfonate; [4-[(1-methylpyridin-1-ium-2-yl)methoxy]phenyl] N,N-dimethylcarbamate Openeye Name: 4-methylbenzenesulfonate; [4-[(1-methylpyridin-1-ium-2-yl)methoxy]phenyl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [4-[(1-methyl-2-pyridin-1-iumyl)methoxy]phenyl] ester; 4-methylbenzenesulfonate IUPAC Name: 4-methylbenzenesulfonate; [4-[(1-methylpyridin-1-ium-2-yl)methoxy]phenyl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [4-[(1-methylpyridin-1-ium-2-yl)methoxy]phenyl] ester tosylate Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1COC2=CC=C(C=C2)OC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1COC2=CC=C(C=C2)OC(=O)N(C)C

InChI

InChI=1S/C16H19N2O3.C7H8O3S/c1-17(2)16(19)21-15-9-7-14(8-10-15)20-12-13-6-4-5-11-18(13)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1