2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O5S/c1-16-14-17(28(24,25)22-7-2-3-8-22)4-5-18(16)27-15-19(23)20-6-9-21-10-12-26-13-11-21/h4-5,14H,2-3,6-13,15H2,1H3,(H,20,23)/p+1