[5-(4-fluorophenyl)thiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-fluorophenyl)thiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(4-fluorophenyl)-2-thienyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-fluorophenyl)-2-thiophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(4-fluorophenyl)thiophen-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(4-fluorophenyl)-2-thienyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H21FN3OS+ MolecularWeight: 382.474343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c22-18-3-1-17(2-4-18)19-5-6-20(27-19)21(26)25-13-11-24(12-14-25)15-16-7-9-23-10-8-16/h1-10H,11-15H2/p+1