(3R,4R)-4-(azepan-1-yl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-yl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-yl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepanyl)-1-[[3-(methylthio)phenyl]methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-yl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-yl)-1-[3-(methylthio)benzyl]piperidin-3-ol Formula: C19H30N2OS MolecularWeight: 334.5193

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCC(C(C2)O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CC[C@H]([C@@H](C2)O)N3CCCCCC3

InChI

InChI=1S/C19H30N2OS/c1-23-17-8-6-7-16(13-17)14-20-12-9-18(19(22)15-20)21-10-4-2-3-5-11-21/h6-8,13,18-19,22H,2-5,9-12,14-15H2,1H3/t18-,19-/m1/s1