2-[(3-methylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3-methyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3-methyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-methyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-methyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-15-7-5-8-16(13-15)20(24(2,22)23)14-17(21)18-9-6-12-19-10-3-4-11-19/h5,7-8,13H,3-4,6,9-12,14H2,1-2H3,(H,18,21)/p+1