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

Systemtic Name: N-(3-oxidanylpropyl)-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: 1-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c26-15-5-11-21-20(27)19-16-25(23-22-19)18-9-13-24(14-10-18)12-4-8-17-6-2-1-3-7-17/h1-4,6-8,16,18,26H,5,9-15H2,(H,21,27)/p+1/b8-4+