2-(2-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; propyl sulfate

Systemtic Name: 2-(2-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; propyl sulfate Openeye Name: 2-(2-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; propyl sulfate CAS Name: 2-(2-hydroxyethyl)-5-[(1-methyl-3-pyridin-1-iumyl)amino]phenol; propyl sulfate IUPAC Name: 2-(2-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; propyl sulfate Traditional Name: 2-(2-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)amino]phenol; propyl sulfate Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC2=CC(=C(C=C2)CCO)O

Isomeric SMILES

CCCOS(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC2=CC(=C(C=C2)CCO)O

InChI

InChI=1S/C14H16N2O2.C3H8O4S/c1-16-7-2-3-13(10-16)15-12-5-4-11(6-8-17)14(18)9-12;1-2-3-7-8(4,5)6/h2-5,7,9-10,15,17H,6,8H2,1H3;2-3H2,1H3,(H,4,5,6)