ethyl 1-[2-methyl-2-(phenylsulfonylamino)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-methyl-2-(phenylsulfonylamino)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(benzenesulfonamido)-2-methyl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(benzenesulfonamido)-2-methylpropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(benzenesulfonamido)-2-methyl-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H29N2O4S+ MolecularWeight: 369.49886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(C)(C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(C)(C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2O4S/c1-4-24-17(21)15-10-12-20(13-11-15)14-18(2,3)19-25(22,23)16-8-6-5-7-9-16/h5-9,15,19H,4,10-14H2,1-3H3/p+1