1-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzotriazole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N(N=N4)CC

InChI

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