1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide

Systemtic Name: 1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Openeye Name: 1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide CAS Name: 1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide IUPAC Name: 1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Traditional Name: 1-(2-phenoxyethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Formula: C22H26BrNO MolecularWeight: 400.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CCOC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H26NO.BrH/c1-4-11-21(12-5-1)13-10-18-23(16-8-3-9-17-23)19-20-24-22-14-6-2-7-15-22;/h1-2,4-7,11-12,14-15H,3,8-9,16-20H2;1H/q+1;/p-1