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

Systemtic Name: 2-[1-butyl-3-(3-nitrophenyl)-5-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide Openeye Name: 2-[5-benzyl-1-butyl-3-(3-nitrophenyl)-1,2,4-triazol-1-ium-1-yl]acetamide CAS Name: 2-[1-butyl-3-(3-nitrophenyl)-5-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]acetamide IUPAC Name: 2-[5-benzyl-1-butyl-3-(3-nitrophenyl)-1,2,4-triazol-1-ium-1-yl]acetamide Traditional Name: 2-[5-benzyl-1-butyl-3-(3-nitrophenyl)-1,2,4-triazol-1-ium-1-yl]acetamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCCC[N+]1(C(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C21H23N5O3/c1-2-3-12-26(15-19(22)27)20(13-16-8-5-4-6-9-16)23-21(24-26)17-10-7-11-18(14-17)25(28)29/h4-11,14H,2-3,12-13,15H2,1H3,(H-,22,27)/p+1