5-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-2-furamide Formula: C19H25BrN3O2+ MolecularWeight: 407.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)Br)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(O2)Br)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H24BrN3O2/c1-14-3-5-15(6-4-14)16(23-11-9-22(2)10-12-23)13-21-19(24)17-7-8-18(20)25-17/h3-8,16H,9-13H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1