2-[(2S)-2-(methylsulfonylaminomethyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(methylsulfonylaminomethyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S)-2-(methanesulfonamidomethyl)-1-piperidin-1-iumyl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]-N-o-cumenyl-acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCCCC2CNS(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCCC[C@H]2CNS(=O)(=O)C

InChI

InChI=1S/C18H29N3O3S/c1-14(2)16-9-4-5-10-17(16)20-18(22)13-21-11-7-6-8-15(21)12-19-25(3,23)24/h4-5,9-10,14-15,19H,6-8,11-13H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1