N,N-dimethylpyridin-1-ium-4-amine; hydrogen sulfate; methylbenzene

Systemtic Name: N,N-dimethylpyridin-1-ium-4-amine; hydrogen sulfate; methylbenzene Openeye Name: N,N-dimethylpyridin-1-ium-4-amine; hydrogen sulfate; toluene CAS Name: N,N-dimethyl-4-pyridin-1-iumamine; hydrogen sulfate; toluene IUPAC Name: N,N-dimethylpyridin-1-ium-4-amine; hydrogen sulfate; toluene Traditional Name: dimethyl(pyridin-1-ium-4-yl)amine; toluene; bisulfate Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10N2.C7H8.H2O4S/c1-9(2)7-3-5-8-6-4-7;1-7-5-3-2-4-6-7;1-5(2,3)4/h3-6H,1-2H3;2-6H,1H3;(H2,1,2,3,4)