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

Systemtic Name: (3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C18H26FN4O3S+ MolecularWeight: 397.487443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC(=CC=C2)F)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC(=CC=C2)F)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H25FN4O3S/c1-14-18(27(24,25)22-7-9-26-10-8-22)15(2)23(20-14)13-21(3)12-16-5-4-6-17(19)11-16/h4-6,11H,7-10,12-13H2,1-3H3/p+1