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

Systemtic Name: (5-chloranylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-thienyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-thiophenyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chlorothiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-thienyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C16H17ClFN2OS+ MolecularWeight: 339.835383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClFN2OS/c17-15-5-4-14(22-15)16(21)20-8-6-19(7-9-20)11-12-2-1-3-13(18)10-12/h1-5,10H,6-9,11H2/p+1