aniline; butyl(trimethyl)azanium; methyl sulfate

Systemtic Name: aniline; butyl(trimethyl)azanium; methyl sulfate Openeye Name: aniline; butyl(trimethyl)ammonium; methyl sulfate CAS Name: aniline; butyl(trimethyl)ammonium; methyl sulfate IUPAC Name: aniline; butyl(trimethyl)azanium; methyl sulfate Traditional Name: butyl(trimethyl)ammonium; methyl sulfate; phenylamine Formula: C14H28N2O4S MolecularWeight: 320.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)C.COS(=O)(=O)[O-].C1=CC=C(C=C1)N

Isomeric SMILES

CCCC[N+](C)(C)C.COS(=O)(=O)[O-].C1=CC=C(C=C1)N

InChI

InChI=1S/C7H18N.C6H7N.CH4O4S/c1-5-6-7-8(2,3)4;7-6-4-2-1-3-5-6;1-5-6(2,3)4/h5-7H2,1-4H3;1-5H,7H2;1H3,(H,2,3,4)/q+1;;/p-1