2-[5-(cyanomethyl)-1-pentyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[5-(cyanomethyl)-1-pentyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide Openeye Name: 2-[3-benzyl-5-(cyanomethyl)-1-pentyl-1,2,4-triazol-1-ium-1-yl]acetamide CAS Name: 2-[5-(cyanomethyl)-1-pentyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]acetamide IUPAC Name: 2-[3-benzyl-5-(cyanomethyl)-1-pentyl-1,2,4-triazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-amyl-3-benzyl-5-(cyanomethyl)-1,2,4-triazol-1-ium-1-yl]acetamide Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)CC#N)CC(=O)N

Isomeric SMILES

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)CC#N)CC(=O)N

InChI

InChI=1S/C18H23N5O/c1-2-3-7-12-23(14-16(20)24)18(10-11-19)21-17(22-23)13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10,12-14H2,1H3,(H-,20,24)/p+1