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

Systemtic Name: 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H36N4O+2 MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)C3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H34N4O/c31-26(28-21-23-8-4-14-27-20-23)24-10-18-30(19-11-24)25-12-16-29(17-13-25)15-5-9-22-6-2-1-3-7-22/h1-9,14,20,24-25H,10-13,15-19,21H2,(H,28,31)/p+2/b9-5+