1,1-bis(3-naphthalen-1-ylprop-2-ynyl)piperidin-1-ium chloride

Systemtic Name: 1,1-bis(3-naphthalen-1-ylprop-2-ynyl)piperidin-1-ium chloride Openeye Name: 1,1-bis[3-(1-naphthyl)prop-2-ynyl]piperidin-1-ium chloride CAS Name: 1,1-bis[3-(1-naphthalenyl)prop-2-ynyl]piperidin-1-ium chloride IUPAC Name: 1,1-bis(3-naphthalen-1-ylprop-2-ynyl)piperidin-1-ium chloride Traditional Name: 1,1-bis[3-(1-naphthyl)prop-2-ynyl]piperidin-1-ium chloride Formula: C31H28ClN MolecularWeight: 450.01372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC3=CC=CC=C32)CC#CC4=CC=CC5=CC=CC=C54.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC3=CC=CC=C32)CC#CC4=CC=CC5=CC=CC=C54.[Cl-]

InChI

InChI=1S/C31H28N.ClH/c1-6-22-32(23-7-1,24-10-18-28-16-8-14-26-12-2-4-20-30(26)28)25-11-19-29-17-9-15-27-13-3-5-21-31(27)29;/h2-5,8-9,12-17,20-21H,1,6-7,22-25H2;1H/q+1;/p-1