5-ethenyl-1,2-dimethyl-pyridin-1-ium; hydrogen sulfate; methylbenzene

Systemtic Name: 5-ethenyl-1,2-dimethyl-pyridin-1-ium; hydrogen sulfate; methylbenzene Openeye Name: 1,2-dimethyl-5-vinyl-pyridin-1-ium; hydrogen sulfate; toluene CAS Name: 5-ethenyl-1,2-dimethylpyridin-1-ium; hydrogen sulfate; toluene IUPAC Name: 5-ethenyl-1,2-dimethylpyridin-1-ium; hydrogen sulfate; toluene Traditional Name: 1,2-dimethyl-5-vinyl-pyridin-1-ium; toluene; bisulfate Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N.C7H8.H2O4S/c1-4-9-6-5-8(2)10(3)7-9;1-7-5-3-2-4-6-7;1-5(2,3)4/h4-7H,1H2,2-3H3;2-6H,1H3;(H2,1,2,3,4)/q+1;;/p-1