4-[(1S)-2-azanyl-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzene-1,3-diol

Systemtic Name: 4-[(1S)-2-azanyl-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzene-1,3-diol Openeye Name: 4-[(1S)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]benzene-1,3-diol CAS Name: 4-[(1S)-2-amino-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzene-1,3-diol IUPAC Name: 4-[(1S)-2-amino-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzene-1,3-diol Traditional Name: 4-[(1S)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]resorcinol Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(CN)C2=C(C=C(C=C2)O)O

Isomeric SMILES

CN(CCC1=CC=NC=C1)[C@H](CN)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C16H21N3O2/c1-19(9-6-12-4-7-18-8-5-12)15(11-17)14-3-2-13(20)10-16(14)21/h2-5,7-8,10,15,20-21H,6,9,11,17H2,1H3/t15-/m1/s1