1-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide

Systemtic Name: 1-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Openeye Name: 1-[3-(1-naphthyl)prop-2-ynyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide CAS Name: 1-[3-(1-naphthalenyl)prop-2-ynyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide IUPAC Name: 1-(3-naphthalen-1-ylprop-2-ynyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Traditional Name: 1-[3-(1-naphthyl)prop-2-ynyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Formula: C27H26BrN MolecularWeight: 444.40604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C27H26N.BrH/c1-3-12-24(13-4-1)14-10-22-28(20-7-2-8-21-28)23-11-18-26-17-9-16-25-15-5-6-19-27(25)26;/h1,3-6,9,12-13,15-17,19H,2,7-8,20-23H2;1H/q+1;/p-1