2-[(2,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-2,4-dimethyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-15-7-8-17(16(2)13-15)21(25(3,23)24)14-18(22)19-9-6-12-20-10-4-5-11-20/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,19,22)/p+1