(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-(benzothiophen-2-ylmethyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidinol IUPAC Name: (3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-(benzothiophen-2-ylmethyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Formula: C19H27N2O2S+ MolecularWeight: 347.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CCN(CC2O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H26N2O2S/c22-15-5-9-21(10-6-15)17-7-8-20(13-18(17)23)12-16-11-14-3-1-2-4-19(14)24-16/h1-4,11,15,17-18,22-23H,5-10,12-13H2/p+1/t17-,18-/m1/s1