(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: (2S)-1-morpholino-2-phenyl-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: (2S)-1-(4-morpholinyl)-2-phenyl-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: (2S)-1-morpholino-2-phenyl-2-[4-(2-thenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N3CCOCC3)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3)CC4=CC=CS4

InChI

InChI=1S/C21H27N3O2S/c25-21(24-12-14-26-15-13-24)20(18-5-2-1-3-6-18)23-10-8-22(9-11-23)17-19-7-4-16-27-19/h1-7,16,20H,8-15,17H2/p+1/t20-/m0/s1