(2R)-2-phenyl-1-pyrrolidin-1-yl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: (2R)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: (2R)-2-phenyl-1-pyrrolidino-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O2S/c25-20(18-9-6-16-27-18)24-14-12-22(13-15-24)19(17-7-2-1-3-8-17)21(26)23-10-4-5-11-23/h1-3,6-9,16,19H,4-5,10-15H2/p+1/t19-/m1/s1