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

Systemtic Name: methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-pyridin-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium CAS Name: methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1-pyridinyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidenepyridin-1-yl)methyl]azanium Traditional Name: benzyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1-pyridyl)methyl]ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O3S2/c1-19(13-16-5-3-2-4-6-16)15-20-14-17(7-8-18(20)25)26(22,23)21-9-11-24-12-10-21/h2-8,14H,9-13,15H2,1H3/p+1