N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-triazole-4-carboxamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c1-24-11-13-25(14-12-24)17-9-7-16(8-10-17)22-20(27)19-15-21-26(23-19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,27)/p+1