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

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-N-[2-(1-propylpiperidin-1-ium-4-yl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-[2-(1-propylpiperidin-1-ium-4-yl)ethyl]triazole-4-carboxamide CAS Name: 1-[(E)-3-phenylprop-2-enyl]-N-[2-(1-propyl-4-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-N-[2-(1-propylpiperidin-1-ium-4-yl)ethyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-[2-(1-propylpiperidin-1-ium-4-yl)ethyl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)CCNC(=O)C2=CN(N=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC(CC1)CCNC(=O)C2=CN(N=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O/c1-2-14-26-16-11-20(12-17-26)10-13-23-22(28)21-18-27(25-24-21)15-6-9-19-7-4-3-5-8-19/h3-9,18,20H,2,10-17H2,1H3,(H,23,28)/p+1/b9-6+