(4-chloranyl-2-methyl-pyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-pyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-chloro-2-methyl-pyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-chloro-2-methyl-3-pyrazolyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-chloro-2-methylpyrazol-3-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-chloro-2-methyl-pyrazol-3-yl)-(4-m-anisylpiperazin-4-ium-1-yl)methanone Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H21ClN4O2/c1-20-16(15(18)11-19-20)17(23)22-8-6-21(7-9-22)12-13-4-3-5-14(10-13)24-2/h3-5,10-11H,6-9,12H2,1-2H3/p+1