N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide Formula: C21H24ClN6O+ MolecularWeight: 411.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4)Cl

InChI

InChI=1S/C21H23ClN6O/c1-2-26-9-11-27(12-10-26)20-8-5-17(13-19(20)22)25-21(29)16-3-6-18(7-4-16)28-14-23-24-15-28/h3-8,13-15H,2,9-12H2,1H3,(H,25,29)/p+1