(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-indan-2-yl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-indan-2-yl-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C23H32N4O+2 MolecularWeight: 380.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C23H30N4O/c28-22-17-27(20-15-18-5-1-2-6-19(18)16-20)10-8-21(22)25-11-13-26(14-12-25)23-7-3-4-9-24-23/h1-7,9,20-22,28H,8,10-17H2/p+2/t21-,22-/m1/s1