[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(5-cyclopropyl-2-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Formula: C22H24ClN4OS+ MolecularWeight: 427.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H23ClN4OS/c23-21-9-8-18(29-21)15-25-10-12-26(13-11-25)22(28)20-14-19(16-6-7-16)24-27(20)17-4-2-1-3-5-17/h1-5,8-9,14,16H,6-7,10-13,15H2/p+1