(2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-tert-butylcyclohexoxy)propan-2-ol CAS Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-tert-butylcyclohexoxy)propan-2-ol Formula: C25H42NO2+ MolecularWeight: 388.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H41NO2/c1-25(2,3)22-9-11-24(12-10-22)28-19-23(27)18-26-15-13-21(14-16-26)17-20-7-5-4-6-8-20/h4-8,21-24,27H,9-19H2,1-3H3/p+1/t22?,23-,24?/m0/s1