(7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone chloride

Systemtic Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone chloride Openeye Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone chloride CAS Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride IUPAC Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride Traditional Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone chloride Formula: C18H27ClN2O MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCC[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H26N2O.ClH/c1-2-3-9-19-11-15-10-16(12-19)14-20(13-15)18(21)17-7-5-4-6-8-17;/h4-8,15-16H,2-3,9-14H2,1H3;1H