2-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol; methyl sulfate

Systemtic Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol; methyl sulfate Openeye Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol; methyl sulfate CAS Name: 2-methyl-5-[(1-methyl-3-pyridin-1-iumyl)methylamino]phenol; methyl sulfate IUPAC Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol; methyl sulfate Traditional Name: 2-methyl-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol; methyl sulfate Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=C[N+](=CC=C2)C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=C[N+](=CC=C2)C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H16N2O.CH4O4S/c1-11-5-6-13(8-14(11)17)15-9-12-4-3-7-16(2)10-12;1-5-6(2,3)4/h3-8,10,15H,9H2,1-2H3;1H3,(H,2,3,4)