dimethyl-(phenylmethyl)-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-(phenylmethyl)-(4-sulfobutyl)azanium Openeye Name: benzyl-dimethyl-(4-sulfobutyl)ammonium CAS Name: dimethyl-(phenylmethyl)-(4-sulfobutyl)ammonium IUPAC Name: benzyl-dimethyl-(4-sulfobutyl)azanium Traditional Name: benzyl-dimethyl-(4-sulfobutyl)ammonium Formula: C13H22NO3S+ MolecularWeight: 272.38368

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)O)CC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)O)CC1=CC=CC=C1

InChI

InChI=1S/C13H21NO3S/c1-14(2,10-6-7-11-18(15,16)17)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3/p+1