[5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [5-(dimethylsulfamoyl)-2-oxo-1-pyridyl]methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [5-(dimethylsulfamoyl)-2-oxopyridin-1-yl]methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [5-(dimethylsulfamoyl)-2-keto-1-pyridyl]methyl-methyl-(2-piperidinobenzyl)ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C=C(C=CC3=O)S(=O)(=O)N(C)C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C=C(C=CC3=O)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H30N4O3S/c1-22(2)29(27,28)19-11-12-21(26)25(16-19)17-23(3)15-18-9-5-6-10-20(18)24-13-7-4-8-14-24/h5-6,9-12,16H,4,7-8,13-15,17H2,1-3H3/p+1