N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[p-tolylsulfonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(4-methylphenyl)sulfonyl-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ium-1-ylethyl)amino]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[2-pyrrolidin-1-ium-1-ylethyl(tosyl)amino]acetamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C19H26N4O4S/c1-15-5-7-17(8-6-15)28(25,26)23(12-11-22-9-3-4-10-22)14-19(24)20-18-13-16(2)27-21-18/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,20,21,24)/p+1