(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H30N4O3S/c1-19-24(20(2)28(25-19)22-9-5-4-6-10-22)18-26(3)17-21-8-7-11-23(16-21)32(29,30)27-12-14-31-15-13-27/h4-11,16H,12-15,17-18H2,1-3H3/p+1