[5-(4-fluorophenyl)thiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-fluorophenyl)thiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(4-fluorophenyl)-2-thienyl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-fluorophenyl)-2-thiophenyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(4-fluorophenyl)thiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(4-fluorophenyl)-2-thienyl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C21H28FN3OS+2 MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN3OS/c22-18-5-3-17(4-6-18)19-7-8-20(27-19)21(26)25-15-13-24(14-16-25)12-11-23-9-1-2-10-23/h3-8H,1-2,9-16H2/p+2