[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O/c1-17-24-21(25-28(17)20-9-7-19(23)8-10-20)22(29)27-15-13-26(14-16-27)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1