2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2,6-dimethyl-N-methylsulfonyl-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-2,6-dimethyl-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C19H31N3O3S/c1-16-9-7-10-17(2)19(16)22(26(3,24)25)15-18(23)20-11-8-14-21-12-5-4-6-13-21/h7,9-10H,4-6,8,11-15H2,1-3H3,(H,20,23)/p+1