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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c31-27(29-21-23-9-5-15-28-20-23)24-11-4-12-26(19-24)32-25-13-17-30(18-14-25)16-6-10-22-7-2-1-3-8-22/h1-12,15,19-20,25H,13-14,16-18,21H2,(H,29,31)/p+1/b10-6+