methyl-phenyl-propan-2-yl-(4-sulfobutyl)azanium

Systemtic Name: methyl-phenyl-propan-2-yl-(4-sulfobutyl)azanium Openeye Name: isopropyl-methyl-phenyl-(4-sulfobutyl)ammonium CAS Name: methyl-phenyl-propan-2-yl-(4-sulfobutyl)ammonium IUPAC Name: methyl-phenyl-propan-2-yl-(4-sulfobutyl)azanium Traditional Name: isopropyl-methyl-phenyl-(4-sulfobutyl)ammonium Formula: C14H24NO3S+ MolecularWeight: 286.41026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCCCS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C)[N+](C)(CCCCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C14H23NO3S/c1-13(2)15(3,14-9-5-4-6-10-14)11-7-8-12-19(16,17)18/h4-6,9-10,13H,7-8,11-12H2,1-3H3/p+1