3-[4-(4-methylpentyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-methylpentyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-(4-isohexylmorpholin-4-ium-4-yl)propane-1-sulfonic acid CAS Name: 3-[4-(4-methylpentyl)-4-morpholin-4-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-methylpentyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-(4-isohexylmorpholin-4-ium-4-yl)propane-1-sulfonic acid Formula: C13H28NO4S+ MolecularWeight: 294.43072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC[N+]1(CCOCC1)CCCS(=O)(=O)O

Isomeric SMILES

CC(C)CCC[N+]1(CCOCC1)CCCS(=O)(=O)O

InChI

InChI=1S/C13H27NO4S/c1-13(2)5-3-6-14(8-10-18-11-9-14)7-4-12-19(15,16)17/h13H,3-12H2,1-2H3/p+1