(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC[C@H](CN2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C22H37N3O2/c1-22(2,3)18-7-9-20(10-8-18)27-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-11-23-21/h4-6,11,18-20,26H,7-10,12-17H2,1-3H3/p+1/t18?,19-,20?/m0/s1