(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluoranyl-3-methyl-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C20H28FN3OS+2 MolecularWeight: 377.519223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C20H26FN3OS/c1-15-18-16(21)5-4-6-17(18)26-19(15)20(25)24-13-11-23(12-14-24)10-9-22-7-2-3-8-22/h4-6H,2-3,7-14H2,1H3/p+2