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

Systemtic Name: 3-[4-[3-(3-methylbutanoylamino)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[3-(3-methylbutanoylamino)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[4-[3-[(3-methyl-1-oxobutyl)amino]propyl]-4-morpholin-4-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[3-(3-methylbutanoylamino)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[3-(isovalerylamino)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Formula: C15H31N2O5S+ MolecularWeight: 351.48204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H30N2O5S/c1-14(2)13-15(18)16-5-3-6-17(8-10-22-11-9-17)7-4-12-23(19,20)21/h14H,3-13H2,1-2H3,(H-,16,18,19,20,21)/p+1