1-phenylmethoxy-3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol chloride

Systemtic Name: 1-phenylmethoxy-3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol chloride Openeye Name: 1-benzyloxy-3-(1-benzylpiperidin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-phenylmethoxy-3-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol chloride IUPAC Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-phenylmethoxypropan-2-ol chloride Traditional Name: 1-benzoxy-3-(1-benzylpiperidin-1-ium-1-yl)propan-2-ol chloride Formula: C22H30ClNO2 MolecularWeight: 375.9321

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)CC(COCC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)CC(COCC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H30NO2.ClH/c24-22(19-25-18-21-12-6-2-7-13-21)17-23(14-8-3-9-15-23)16-20-10-4-1-5-11-20;/h1-2,4-7,10-13,22,24H,3,8-9,14-19H2;1H/q+1;/p-1