1-[(4-ethynylphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-ethynylphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-ethynylphenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-ethynylphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-ethynylphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-ethynylbenzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-2-20-8-10-21(11-9-20)19-29-16-14-22(15-17-29)26(30)28-23-12-13-25(27-18-23)31-24-6-4-3-5-7-24/h1,3-13,18,22H,14-17,19H2,(H,28,30)/p+1