(3R,4R)-1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-chlorophenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-chlorobenzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C21H29ClN4O+2 MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CC=C4Cl

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H27ClN4O/c22-18-6-2-1-5-17(18)15-24-10-8-19(20(27)16-24)25-11-13-26(14-12-25)21-7-3-4-9-23-21/h1-7,9,19-20,27H,8,10-16H2/p+2/t19-,20-/m1/s1