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

Systemtic Name: 2-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-triazole-4-carboxamide CAS Name: 2-(3-chlorophenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-methyl-4-triazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-methyltriazole-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-triazole-4-carboxamide Formula: C23H28ClN6O+ MolecularWeight: 439.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(N=C3C)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(N=C3C)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C23H27ClN6O/c1-4-28-10-12-29(13-11-28)19-8-9-21(16(2)14-19)25-23(31)22-17(3)26-30(27-22)20-7-5-6-18(24)15-20/h5-9,14-15H,4,10-13H2,1-3H3,(H,25,31)/p+1