[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C19H20ClN4OS+ MolecularWeight: 387.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H19ClN4OS/c20-18-7-6-17(26-18)14-22-8-10-23(11-9-22)19(25)15-12-21-24(13-15)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2/p+1