1-(phenylmethyl)-1-[3-[4-[3-[1-(phenylmethyl)piperidin-1-ium-1-yl]prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium

Systemtic Name: 1-(phenylmethyl)-1-[3-[4-[3-[1-(phenylmethyl)piperidin-1-ium-1-yl]prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium Openeye Name: 1-benzyl-1-[3-[4-[3-(1-benzylpiperidin-1-ium-1-yl)prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium CAS Name: 1-(phenylmethyl)-1-[3-[4-[3-[1-(phenylmethyl)-1-piperidin-1-iumyl]prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium IUPAC Name: 1-benzyl-1-[3-[4-[3-(1-benzylpiperidin-1-ium-1-yl)prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium Traditional Name: 1-benzyl-1-[3-[4-[3-(1-benzylpiperidin-1-ium-1-yl)prop-1-ynyl]phenyl]prop-2-ynyl]piperidin-1-ium Formula: C36H42N2+2 MolecularWeight: 502.73208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=C(C=C2)C#CC[N+]3(CCCCC3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=C(C=C2)C#CC[N+]3(CCCCC3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C36H42N2/c1-5-15-35(16-6-1)31-37(25-9-3-10-26-37)29-13-19-33-21-23-34(24-22-33)20-14-30-38(27-11-4-12-28-38)32-36-17-7-2-8-18-36/h1-2,5-8,15-18,21-24H,3-4,9-12,25-32H2/q+2