4-bromanyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-bromo-N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-bromo-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-bromo-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C18H22BrN3OS/c1-21-8-10-22(11-9-21)16(17-3-2-12-24-17)13-20-18(23)14-4-6-15(19)7-5-14/h2-7,12,16H,8-11,13H2,1H3,(H,20,23)/p+1/t16-/m1/s1