(1,1-dimethyl-4-phenyl-azepan-1-ium-4-yl)methanol bromide

Systemtic Name: (1,1-dimethyl-4-phenyl-azepan-1-ium-4-yl)methanol bromide Openeye Name: (1,1-dimethyl-4-phenyl-azepan-1-ium-4-yl)methanol bromide CAS Name: (1,1-dimethyl-4-phenyl-4-azepan-1-iumyl)methanol bromide IUPAC Name: (1,1-dimethyl-4-phenylazepan-1-ium-4-yl)methanol bromide Traditional Name: (1,1-dimethyl-4-phenyl-azepan-1-ium-4-yl)methanol bromide Formula: C15H24BrNO MolecularWeight: 314.26116

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(CC1)(CO)C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC(CC1)(CO)C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C15H24NO.BrH/c1-16(2)11-6-9-15(13-17,10-12-16)14-7-4-3-5-8-14;/h3-5,7-8,17H,6,9-13H2,1-2H3;1H/q+1;/p-1