(3R,4R)-1-(1H-indol-3-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-(1H-indol-3-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(1H-indol-3-ylmethyl)piperidin-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-(1H-indol-3-ylmethyl)-3-piperidinol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(1H-indol-3-ylmethyl)piperidin-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(1H-indol-3-ylmethyl)piperidin-3-ol Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CCN(CC2O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H27N3O2/c23-15-5-9-22(10-6-15)18-7-8-21(13-19(18)24)12-14-11-20-17-4-2-1-3-16(14)17/h1-4,11,15,18-20,23-24H,5-10,12-13H2/p+1/t18-,19-/m1/s1