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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H26N6O/c1-17-13-20(27-11-9-26(2)10-12-27)7-8-21(17)25-22(29)19-5-3-18(4-6-19)14-28-16-23-15-24-28/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,29)/p+1