(4-tert-butylphenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1-pyridinyl]methyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidenepyridin-1-yl)methyl]azanium Traditional Name: (4-tert-butylbenzyl)-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H31N3O3S2/c1-22(2,3)19-7-5-18(6-8-19)15-23(4)17-24-16-20(9-10-21(24)29)30(26,27)25-11-13-28-14-12-25/h5-10,16H,11-15,17H2,1-4H3/p+1