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

Systemtic Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(3-pyridylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(3-pyridinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazino)-1-(3-pyridylmethyl)piperidin-1-ium-3-ol Formula: C20H29N5O+2 MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CN=CC=C4

InChI

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