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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

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