[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N5O2/c1-24-12-14-25(15-13-24)21(27)19-22-20(16-6-4-3-5-7-16)26(23-19)17-8-10-18(28-2)11-9-17/h3-11H,12-15H2,1-2H3/p+1