3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O4S/c1-14-12-22(13-15(2)26-14)27(24,25)17-6-4-5-16(11-17)18(23)19-21-9-7-20(3)8-10-21/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,19,23)/p+1/t14-,15-/m0/s1