1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,2,4-triazol-1-yl)ethanone Formula: C21H24N5O+ MolecularWeight: 362.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C=NC=N4

InChI

InChI=1S/C21H23N5O/c27-20(15-26-17-22-16-23-26)24-11-13-25(14-12-24)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,21H,11-15H2/p+1