benzenesulfonic acid; 4-methyl-4-pentyl-morpholin-4-ium

Systemtic Name: benzenesulfonic acid; 4-methyl-4-pentyl-morpholin-4-ium Openeye Name: benzenesulfonic acid; 4-methyl-4-pentyl-morpholin-4-ium CAS Name: benzenesulfonic acid; 4-methyl-4-pentylmorpholin-4-ium IUPAC Name: benzenesulfonic acid; 4-methyl-4-pentylmorpholin-4-ium Traditional Name: 4-amyl-4-methyl-morpholin-4-ium; besylic acid Formula: C16H28NO4S+ MolecularWeight: 330.46282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCOCC1)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC[N+]1(CCOCC1)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H22NO.C6H6O3S/c1-3-4-5-6-11(2)7-9-12-10-8-11;7-10(8,9)6-4-2-1-3-5-6/h3-10H2,1-2H3;1-5H,(H,7,8,9)/q+1;