1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzotriazole-5-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C)N=N1

InChI

InChI=1S/C22H28N6O/c1-3-28-21-8-7-18(16-20(21)24-25-28)22(29)23-9-10-26-11-13-27(14-12-26)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,29)/p+1