4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-17-15-24(16-18(2)28-17)29(26,27)20-9-7-19(8-10-20)21(25)22-11-6-14-23-12-4-3-5-13-23/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,22,25)/p+1/t17-,18-/m1/s1