2-[5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]sulfanylethanol

Systemtic Name: 2-[5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[5-(4-methyl-1-piperidyl)-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[5-(4-methyl-1-piperidinyl)-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[5-(4-methylpiperidin-1-yl)-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[5-(4-methylpiperidino)-2-nitro-phenyl]thio]ethanol Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

CC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C14H20N2O3S/c1-11-4-6-15(7-5-11)12-2-3-13(16(18)19)14(10-12)20-9-8-17/h2-3,10-11,17H,4-9H2,1H3