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

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c27-20(23-17-6-8-19(9-7-17)26-16-21-15-22-26)14-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-9,15-16H,10-14H2,(H,23,27)/p+1