2-ethyl-5-[2-(3-methyl-2H-imidazol-1-yl)ethylamino]phenol; propyl sulfate

Systemtic Name: 2-ethyl-5-[2-(3-methyl-2H-imidazol-1-yl)ethylamino]phenol; propyl sulfate Openeye Name: 2-ethyl-5-[2-(3-methyl-2H-imidazol-1-yl)ethylamino]phenol; propyl sulfate CAS Name: 2-ethyl-5-[2-(3-methyl-2H-imidazol-1-yl)ethylamino]phenol; propyl sulfate IUPAC Name: 2-ethyl-5-[2-(3-methyl-2H-imidazol-1-yl)ethylamino]phenol; propyl sulfate Traditional Name: 2-ethyl-5-[2-(3-methyl-4-imidazolin-1-yl)ethylamino]phenol; propyl sulfate Formula: C17H28N3O5S- MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)[O-].CCC1=C(C=C(C=C1)NCCN2CN(C=C2)C)O

Isomeric SMILES

CCCOS(=O)(=O)[O-].CCC1=C(C=C(C=C1)NCCN2CN(C=C2)C)O

InChI

InChI=1S/C14H21N3O.C3H8O4S/c1-3-12-4-5-13(10-14(12)18)15-6-7-17-9-8-16(2)11-17;1-2-3-7-8(4,5)6/h4-5,8-10,15,18H,3,6-7,11H2,1-2H3;2-3H2,1H3,(H,4,5,6)/p-1