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

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(2-methylpyrazol-3-yl)methanone Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H19ClN4O/c1-19-15(6-7-18-19)16(22)21-10-8-20(9-11-21)12-13-4-2-3-5-14(13)17/h2-7H,8-12H2,1H3/p+1