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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-thienylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(3-thiophenylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-thenyl)piperidin-1-ium-3-ol Formula: C16H28N2OS+2 MolecularWeight: 296.47132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](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+2/t15-,16-/m1/s1