4-methylbenzenesulfonate; 4-methyl-4-(pentylsulfonylmethyl)morpholin-4-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-methyl-4-(pentylsulfonylmethyl)morpholin-4-ium Openeye Name: 4-methylbenzenesulfonate; 4-methyl-4-(pentylsulfonylmethyl)morpholin-4-ium CAS Name: 4-methylbenzenesulfonate; 4-methyl-4-(pentylsulfonylmethyl)morpholin-4-ium IUPAC Name: 4-methylbenzenesulfonate; 4-methyl-4-(pentylsulfonylmethyl)morpholin-4-ium Traditional Name: 4-(amylsulfonylmethyl)-4-methyl-morpholin-4-ium tosylate Formula: C18H31NO6S2 MolecularWeight: 421.57184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C[N+]1(CCOCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCS(=O)(=O)C[N+]1(CCOCC1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H24NO3S.C7H8O3S/c1-3-4-5-10-16(13,14)11-12(2)6-8-15-9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1