[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4O2/c1-20-13-14(12-19-20)17(23)22-8-6-21(7-9-22)10-11-24-16-4-2-15(18)3-5-16/h2-5,12-13H,6-11H2,1H3/p+1