[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: [4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C16H19Cl2N4O+ MolecularWeight: 354.25426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N4O/c1-20-15(4-5-19-20)16(23)22-8-6-21(7-9-22)11-12-2-3-13(17)14(18)10-12/h2-5,10H,6-9,11H2,1H3/p+1