(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C23H33N4O3+3 MolecularWeight: 413.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H30N4O3/c28-20-17-25(16-18-4-5-21-22(15-18)30-14-13-29-21)8-6-19(20)26-9-11-27(12-10-26)23-3-1-2-7-24-23/h1-5,7,15,19-20,28H,6,8-14,16-17H2/p+3/t19-,20-/m1/s1