(E)-2-phenylethenesulfonate; trimethyl-(phenylmethyl)azanium

Systemtic Name: (E)-2-phenylethenesulfonate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; (E)-2-phenylethenesulfonate Traditional Name: benzyl(trimethyl)ammonium; (E)-2-phenylethenesulfonate Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)C=CS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-]

InChI

InChI=1S/C10H16N.C8H8O3S/c1-11(2,3)9-10-7-5-4-6-8-10;9-12(10,11)7-6-8-4-2-1-3-5-8/h4-8H,9H2,1-3H3;1-7H,(H,9,10,11)/q+1;/p-1/b;7-6+