N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C15H20ClN6O+ MolecularWeight: 335.8119

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl

InChI

InChI=1S/C15H19ClN6O/c1-2-21-5-7-22(8-6-21)13-4-3-11(9-12(13)16)19-15(23)14-17-10-18-20-14/h3-4,9-10H,2,5-8H2,1H3,(H,19,23)(H,17,18,20)/p+1