1,3,5-trimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-sulfonamide

Systemtic Name: 1,3,5-trimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-sulfonamide Openeye Name: 1,3,5-trimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-sulfonamide CAS Name: 1,3,5-trimethyl-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-pyrazolesulfonamide IUPAC Name: 1,3,5-trimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]pyrazole-4-sulfonamide Traditional Name: 1,3,5-trimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]pyrazole-4-sulfonamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N[C@@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O3S/c1-14-18(15(2)21(3)19-14)26(23,24)20-17(16-7-5-4-6-8-16)13-22-9-11-25-12-10-22/h4-8,17,20H,9-13H2,1-3H3/p+1/t17-/m0/s1