1-[3-[3-(3-piperidin-1-ium-1-ylprop-1-ynyl)phenyl]prop-2-ynyl]piperidin-1-ium

Systemtic Name: 1-[3-[3-(3-piperidin-1-ium-1-ylprop-1-ynyl)phenyl]prop-2-ynyl]piperidin-1-ium Openeye Name: 1-[3-[3-(3-piperidin-1-ium-1-ylprop-1-ynyl)phenyl]prop-2-ynyl]piperidin-1-ium CAS Name: 1-[3-[3-[3-(1-piperidin-1-iumyl)prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium IUPAC Name: 1-[3-[3-(3-piperidin-1-ium-1-ylprop-1-ynyl)phenyl]prop-2-ynyl]piperidin-1-ium Traditional Name: 1-[3-[3-(3-piperidin-1-ium-1-ylprop-1-ynyl)phenyl]prop-2-ynyl]piperidin-1-ium Formula: C22H30N2+2 MolecularWeight: 322.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CC2=CC(=CC=C2)C#CC[NH+]3CCCCC3

Isomeric SMILES

C1CC[NH+](CC1)CC#CC2=CC(=CC=C2)C#CC[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2/c1-3-14-23(15-4-1)18-8-12-21-10-7-11-22(20-21)13-9-19-24-16-5-2-6-17-24/h7,10-11,20H,1-6,14-19H2/p+2