dimethyl-[3-(3-oxidanyl-4-pentyl-phenyl)propyl]-sulfo-azanium

Systemtic Name: dimethyl-[3-(3-oxidanyl-4-pentyl-phenyl)propyl]-sulfo-azanium Openeye Name: 3-(3-hydroxy-4-pentyl-phenyl)propyl-dimethyl-sulfo-ammonium CAS Name: 3-(3-hydroxy-4-pentylphenyl)propyl-dimethyl-sulfoammonium IUPAC Name: 3-(3-hydroxy-4-pentylphenyl)propyl-dimethyl-sulfoazanium Traditional Name: 3-(4-amyl-3-hydroxy-phenyl)propyl-dimethyl-sulfo-ammonium Formula: C16H28NO4S+ MolecularWeight: 330.46282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)CCC[N+](C)(C)S(=O)(=O)O)O

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)CCC[N+](C)(C)S(=O)(=O)O)O

InChI

InChI=1S/C16H27NO4S/c1-4-5-6-9-15-11-10-14(13-16(15)18)8-7-12-17(2,3)22(19,20)21/h10-11,13H,4-9,12H2,1-3H3,(H-,18,19,20,21)/p+1