N-[benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methylidene]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methylidene]-3,4,5-trimethoxy-benzamide Openeye Name: N-[benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methylene]-3,4,5-trimethoxy-benzamide CAS Name: N-[1-benzotriazolyl-(4-methyl-1-piperazin-4-iumyl)methylidene]-3,4,5-trimethoxybenzamide IUPAC Name: N-[benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methylidene]-3,4,5-trimethoxybenzamide Traditional Name: N-[benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methylene]-3,4,5-trimethoxy-benzamide Formula: C22H27N6O4+ MolecularWeight: 439.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H26N6O4/c1-26-9-11-27(12-10-26)22(28-17-8-6-5-7-16(17)24-25-28)23-21(29)15-13-18(30-2)20(32-4)19(14-15)31-3/h5-8,13-14H,9-12H2,1-4H3/p+1