4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c31-27(29-21-24-10-4-5-17-28-24)23-11-13-25(14-12-23)32-26-15-19-30(20-16-26)18-6-9-22-7-2-1-3-8-22/h1-14,17,26H,15-16,18-21H2,(H,29,31)/p+1/b9-6+