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

Systemtic Name: (3R,4R)-1-[(2-cyclopentyloxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[2-(cyclopentoxy)phenyl]methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-cyclopentyloxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-cyclopentyloxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[2-(cyclopentoxy)benzyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C26H38N4O2+2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CCC(C(C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2C[NH+]3CC[C@H]([C@@H](C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H36N4O2/c31-24-20-28(19-21-7-1-4-10-25(21)32-22-8-2-3-9-22)14-12-23(24)29-15-17-30(18-16-29)26-11-5-6-13-27-26/h1,4-7,10-11,13,22-24,31H,2-3,8-9,12,14-20H2/p+2/t23-,24-/m1/s1