N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-21-8-10-22(11-9-21)16(14-4-6-15(19)7-5-14)13-20-18(23)17-3-2-12-24-17/h2-7,12,16H,8-11,13H2,1H3,(H,20,23)/p+1/t16-/m1/s1