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

Systemtic Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-(3-methoxyphenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(3-methoxyphenoxy)propan-2-ol Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO3/c1-25-21-8-5-9-22(15-21)26-17-20(24)16-23-12-10-19(11-13-23)14-18-6-3-2-4-7-18/h2-9,15,19-20,24H,10-14,16-17H2,1H3/p+1/t20-/m0/s1