ethyl-[(3-methoxyphenyl)methyl]-dimethyl-azanium; methylbenzene; sulfate

Systemtic Name: ethyl-[(3-methoxyphenyl)methyl]-dimethyl-azanium; methylbenzene; sulfate Openeye Name: ethyl-[(3-methoxyphenyl)methyl]-dimethyl-ammonium; toluene; sulfate CAS Name: ethyl-[(3-methoxyphenyl)methyl]-dimethylammonium; toluene; sulfate IUPAC Name: ethyl-[(3-methoxyphenyl)methyl]-dimethylazanium; toluene; sulfate Traditional Name: ethyl-m-anisyl-dimethyl-ammonium; toluene; sulfate Formula: C31H48N2O6S MolecularWeight: 576.78762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H20NO.C7H8.H2O4S/c2*1-5-13(2,3)10-11-7-6-8-12(9-11)14-4;1-7-5-3-2-4-6-7;1-5(2,3)4/h2*6-9H,5,10H2,1-4H3;2-6H,1H3;(H2,1,2,3,4)/q2*+1;;/p-2