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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCCCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCCC[C@H]1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-3-17(2)16-25-14-5-4-8-21(25)22(26)24-18-9-11-19(12-10-18)27-20-7-6-13-23-15-20/h3,6-7,9-13,15,21H,4-5,8,14,16H2,1-2H3,(H,24,26)/p+1/b17-3+/t21-/m0/s1