(4-chloranyl-2-methyl-pyrazol-3-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-2-methyl-pyrazol-3-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-chloro-2-methyl-pyrazol-3-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-chloro-2-methyl-3-pyrazolyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-2-methylpyrazol-3-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-2-methyl-pyrazol-3-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H21ClN4O/c1-20-16(15(18)13-19-20)17(23)22-11-9-21(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/p+1