(2S)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: (2S)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: (2S)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-morpholino-propan-1-one CAS Name: (2S)-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: (2S)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: (2S)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-morpholino-propan-1-one Formula: C16H26N3O4S2+ MolecularWeight: 388.52534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)N3CCOCC3

InChI

InChI=1S/C16H25N3O4S2/c1-13-3-4-15(24-13)25(21,22)19-7-5-17(6-8-19)14(2)16(20)18-9-11-23-12-10-18/h3-4,14H,5-12H2,1-2H3/p+1/t14-/m0/s1