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

Systemtic Name: (4-fluoranyl-3-methyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-fluoro-3-methyl-benzothiophen-2-yl)methanone CAS Name: (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-fluoro-3-methyl-benzothiophen-2-yl)methanone Formula: C21H22FN2OS+ MolecularWeight: 369.475583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21FN2OS/c1-15-19-17(22)8-5-9-18(19)26-20(15)21(25)24-12-10-23(11-13-24)14-16-6-3-2-4-7-16/h2-9H,10-14H2,1H3/p+1