(4-fluoranyl-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorobenzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C19H26FN3OS+2 MolecularWeight: 363.492643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C19H24FN3OS/c20-16-4-3-5-17-15(16)14-18(25-17)19(24)23-12-10-22(11-13-23)9-8-21-6-1-2-7-21/h3-5,14H,1-2,6-13H2/p+2