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

Systemtic Name: (3R,4R)-1-phenethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-phenethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-phenethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-phenethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-phenethyl-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C22H32N4O+2 MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O/c27-21-18-24(12-9-19-6-2-1-3-7-19)13-10-20(21)25-14-16-26(17-15-25)22-8-4-5-11-23-22/h1-8,11,20-21,27H,9-10,12-18H2/p+2/t20-,21-/m1/s1