N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(5-methyl-1,2,3-triazol-1-yl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(5-methyl-1,2,3-triazol-1-yl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(5-methyltriazol-1-yl)benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(5-methyl-1-triazolyl)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(5-methyltriazol-1-yl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(5-methyltriazol-1-yl)benzamide Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CN=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N6O/c1-16-15-22-24-27(16)20-7-3-17(4-8-20)21(28)23-18-5-9-19(10-6-18)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,23,28)/p+1