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

Systemtic Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H31N3O4S/c1-15-13-23(14-16(2)27-15)28(25,26)19-7-5-6-17(12-19)20(24)22(4)18-8-10-21(3)11-9-18/h5-7,12,15-16,18H,8-11,13-14H2,1-4H3/p+1/t15-,16-/m0/s1