1-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H34N4O+2 MolecularWeight: 418.57436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H32N4O/c1-2-21-6-8-22(9-7-21)20-29-15-12-25(13-16-29)30-17-10-23(11-18-30)26(31)28-19-24-5-3-4-14-27-24/h1,3-9,14,23,25H,10-13,15-20H2,(H,28,31)/p+2