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

Systemtic Name: [4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-fluoro-3-(methoxymethyl)benzothiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-fluoro-3-(methoxymethyl)benzothiophen-2-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C21H30FN3O2S+2 MolecularWeight: 407.545203

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C21H28FN3O2S/c1-27-15-16-19-17(22)5-4-6-18(19)28-20(16)21(26)25-13-11-24(12-14-25)10-9-23-7-2-3-8-23/h4-6H,2-3,7-15H2,1H3/p+2