1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(E)-2-methylbut-2-enyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(E)-2-methylbut-2-enyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(E)-2-methylbut-2-enyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-3-17(2)16-25-13-10-18(11-14-25)22(26)24-19-6-8-20(9-7-19)27-21-5-4-12-23-15-21/h3-9,12,15,18H,10-11,13-14,16H2,1-2H3,(H,24,26)/p+1/b17-3+