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

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5OS/c1-16-13-20(27(24-16)17-5-3-2-4-6-17)23-21(28)15-26-11-9-25(10-12-26)14-18-7-8-19(22)29-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)/p+1