(3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-2-ylmethyl)piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-2-ylmethyl)piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2-thienylmethyl)piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(thiophen-2-ylmethyl)-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-2-ylmethyl)piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2-thenyl)piperidin-3-ol Formula: C16H27N2OS+ MolecularWeight: 295.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2O)CC3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCN(C[C@H]2O)CC3=CC=CS3

InChI

InChI=1S/C16H26N2OS/c19-16-13-17(12-14-6-5-11-20-14)10-7-15(16)18-8-3-1-2-4-9-18/h5-6,11,15-16,19H,1-4,7-10,12-13H2/p+1/t15-,16-/m1/s1