4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(3-fluoro-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(3-fluoro-4-methyl-benzyl)piperazin-4-ium-1-carboxamide Formula: C18H22BrFN3OS+ MolecularWeight: 427.354183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)F

InChI

InChI=1S/C18H21BrFN3OS/c1-13-2-3-14(10-16(13)20)11-21-18(24)23-8-6-22(7-9-23)12-15-4-5-17(19)25-15/h2-5,10H,6-9,11-12H2,1H3,(H,21,24)/p+1