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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-3-ylmethyl)piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-thienylmethyl)piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(3-thiophenylmethyl)-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-3-ylmethyl)piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-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=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCN(C[C@H]2O)CC3=CSC=C3

InChI

InChI=1S/C16H26N2OS/c19-16-12-17(11-14-6-10-20-13-14)9-5-15(16)18-7-3-1-2-4-8-18/h6,10,13,15-16,19H,1-5,7-9,11-12H2/p+1/t15-,16-/m1/s1