1-ethyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CC[NH+](CC4)C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CC[NH+](CC4)C)C)N=N1

InChI

InChI=1S/C21H26N6O/c1-4-27-20-8-5-16(14-19(20)23-24-27)21(28)22-18-7-6-17(13-15(18)2)26-11-9-25(3)10-12-26/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,28)/p+1