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

Systemtic Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-(1-propyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C21H33N3O4S/c1-4-11-23-12-9-19(10-13-23)22-21(25)18-5-7-20(8-6-18)29(26,27)24-14-16(2)28-17(3)15-24/h5-8,16-17,19H,4,9-15H2,1-3H3,(H,22,25)/p+1/t16-,17-/m0/s1