2H-benzotriazol-5-yl-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C19H21ClN5O2+ MolecularWeight: 386.85534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H20ClN5O2/c20-15-2-4-16(5-3-15)27-12-11-24-7-9-25(10-8-24)19(26)14-1-6-17-18(13-14)22-23-21-17/h1-6,13H,7-12H2,(H,21,22,23)/p+1