[(1R,5S)-8-(3-oxidanylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-(phenylmethyl)azanium dichloride

Systemtic Name: [(1R,5S)-8-(3-oxidanylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[(1R,5S)-8-(3-hydroxypropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]ammonium dichloride CAS Name: [(1R,5S)-8-(3-hydroxypropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[(1R,5S)-8-(3-hydroxypropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]azanium dichloride Traditional Name: benzyl-[(1R,5S)-8-(3-hydroxypropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]ammonium dichloride Formula: C17H28Cl2N2O MolecularWeight: 347.32302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1[NH+]2CCCO)[NH2+]CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C1C[C@H]2CC(C[C@@H]1[NH+]2CCCO)[NH2+]CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C17H26N2O.2ClH/c20-10-4-9-19-16-7-8-17(19)12-15(11-16)18-13-14-5-2-1-3-6-14;;/h1-3,5-6,15-18,20H,4,7-13H2;2*1H/t15?,16-,17+;;