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

Systemtic Name: N-(2-hydroxyethyl)-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-(2-hydroxyethyl)triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-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-(2-hydroxyethyl)triazole-4-carboxamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/c25-14-10-20-19(26)18-15-24(22-21-18)17-8-12-23(13-9-17)11-4-7-16-5-2-1-3-6-16/h1-7,15,17,25H,8-14H2,(H,20,26)/p+1/b7-4+