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

Systemtic Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(2-pyridylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(2-pyridylmethyl)piperidin-1-ium-3-ol Formula: C20H30N5O+3 MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CC=N4

InChI

InChI=1S/C20H27N5O/c26-19-16-23(15-17-5-1-3-8-21-17)10-7-18(19)24-11-13-25(14-12-24)20-6-2-4-9-22-20/h1-6,8-9,18-19,26H,7,10-16H2/p+3/t18-,19-/m1/s1