N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H22ClN6O+ MolecularWeight: 397.88128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN6O/c21-16-6-7-19(27-15-22-14-23-27)18(12-16)24-20(28)13-25-8-10-26(11-9-25)17-4-2-1-3-5-17/h1-7,12,14-15H,8-11,13H2,(H,24,28)/p+1