1-(3-methylbut-2-enyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylbut-2-enyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-methylbut-2-enyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(3-methylbut-2-enyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylbut-2-enyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-methylbut-2-enyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O2/c1-17(2)10-13-25-14-11-18(12-15-25)22(26)24-19-8-9-21(23-16-19)27-20-6-4-3-5-7-20/h3-10,16,18H,11-15H2,1-2H3,(H,24,26)/p+1