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

Systemtic Name: (2S)-1-(3-methylphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(3-methylphenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO2/c1-18-6-5-9-22(14-18)25-17-21(24)16-23-12-10-20(11-13-23)15-19-7-3-2-4-8-19/h2-9,14,20-21,24H,10-13,15-17H2,1H3/p+1/t21-/m0/s1