1-(4-chlorophenyl)-4-[2-(5-methyl-4-oxidanyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine

Systemtic Name: 1-(4-chlorophenyl)-4-[2-(5-methyl-4-oxidanyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine Openeye Name: 1-(4-chlorophenyl)-4-[2-(4-hydroxy-5-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine CAS Name: 1-(4-chlorophenyl)-4-[2-(4-hydroxy-5-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine IUPAC Name: 1-(4-chlorophenyl)-4-[2-(4-hydroxy-5-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine Traditional Name: 1-(4-chlorophenyl)-4-[2-(4-hydroxy-5-methyl-4-phenyl-1,2,4-triazol-4-ium-3-yl)ethyl]piperazine Formula: C21H25ClN5O+ MolecularWeight: 398.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C([N+]1(C2=CC=CC=C2)O)CCN3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN=C([N+]1(C2=CC=CC=C2)O)CCN3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN5O/c1-17-23-24-21(27(17,28)20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)19-9-7-18(22)8-10-19/h2-10,28H,11-16H2,1H3/q+1