N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]triazole-4-carboxamide CAS Name: N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]triazole-4-carboxamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c31-25(23-20-30(28-27-23)18-10-13-21-11-4-1-5-12-21)26-19-24(22-14-6-2-7-15-22)29-16-8-3-9-17-29/h1-2,4-7,10-15,20,24H,3,8-9,16-19H2,(H,26,31)/p+1/b13-10+/t24-/m0/s1