1-[3-(azepan-1-ium-1-yl)-2-phenylmethoxy-propyl]azepan-1-ium dichloride

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)-2-phenylmethoxy-propyl]azepan-1-ium dichloride Openeye Name: 1-[3-(azepan-1-ium-1-yl)-2-benzyloxy-propyl]azepan-1-ium dichloride CAS Name: 1-[3-(1-azepan-1-iumyl)-2-phenylmethoxypropyl]azepan-1-ium dichloride IUPAC Name: 1-[3-(azepan-1-ium-1-yl)-2-phenylmethoxypropyl]azepan-1-ium dichloride Traditional Name: 1-[3-(azepan-1-ium-1-yl)-2-benzoxy-propyl]azepan-1-ium dichloride Formula: C22H38Cl2N2O MolecularWeight: 417.45592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C[NH+]2CCCCCC2)OCC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(C[NH+]2CCCCCC2)OCC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C22H36N2O.2ClH/c1-2-9-15-23(14-8-1)18-22(19-24-16-10-3-4-11-17-24)25-20-21-12-6-5-7-13-21;;/h5-7,12-13,22H,1-4,8-11,14-20H2;2*1H