N-[(2R)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1R)-1-benzyl-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[(2R)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1R)-1-benzyl-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C25H27ClN3O2S+ MolecularWeight: 469.01878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O2S/c26-23-12-11-21(32-23)18-28-13-15-29(16-14-28)25(31)22(17-19-7-3-1-4-8-19)27-24(30)20-9-5-2-6-10-20/h1-12,22H,13-18H2,(H,27,30)/p+1/t22-/m1/s1