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

Systemtic Name: 2-[1-pentyl-5-phenyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide hydrochloride Openeye Name: 2-(3-benzyl-1-pentyl-5-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride CAS Name: 2-[1-pentyl-5-phenyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]acetamide hydrochloride IUPAC Name: 2-(3-benzyl-1-pentyl-5-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Traditional Name: 2-(1-amyl-3-benzyl-5-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Formula: C22H28ClN4O+ MolecularWeight: 399.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N.Cl

Isomeric SMILES

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N.Cl

InChI

InChI=1S/C22H26N4O.ClH/c1-2-3-10-15-26(17-20(23)27)22(19-13-8-5-9-14-19)24-21(25-26)16-18-11-6-4-7-12-18;/h4-9,11-14H,2-3,10,15-17H2,1H3,(H-,23,27);1H/p+1