4-methylbenzenesulfonic acid; 1-methyl-1-[2-[(1-methylpiperidin-1-ium-1-yl)methylsulfonyl]ethyl]piperidin-1-ium

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-1-[2-[(1-methylpiperidin-1-ium-1-yl)methylsulfonyl]ethyl]piperidin-1-ium Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-1-[2-[(1-methylpiperidin-1-ium-1-yl)methylsulfonyl]ethyl]piperidin-1-ium CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-1-[2-[(1-methyl-1-piperidin-1-iumyl)methylsulfonyl]ethyl]piperidin-1-ium IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-1-[2-[(1-methylpiperidin-1-ium-1-yl)methylsulfonyl]ethyl]piperidin-1-ium Traditional Name: 1-methyl-1-[2-[(1-methylpiperidin-1-ium-1-yl)methylsulfonyl]ethyl]piperidin-1-ium; tosylic acid Formula: C22H40N2O5S2+2 MolecularWeight: 476.6934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCCCC1)CCS(=O)(=O)C[N+]2(CCCCC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCCCC1)CCS(=O)(=O)C[N+]2(CCCCC2)C

InChI

InChI=1S/C15H32N2O2S.C7H8O3S/c1-16(9-5-3-6-10-16)13-14-20(18,19)15-17(2)11-7-4-8-12-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+2;