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

Systemtic Name: 4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C27H27N3O2/c1-2-21-6-8-22(9-7-21)20-30-17-14-26(15-18-30)32-25-12-10-23(11-13-25)27(31)29-19-24-5-3-4-16-28-24/h1,3-13,16,26H,14-15,17-20H2,(H,29,31)/p+1