2,6,6-trimethyl-4-methylsulfonyl-1-oxidanidyl-3,5-dihydro-2H-1,4-diazepin-1-ium

Systemtic Name: 2,6,6-trimethyl-4-methylsulfonyl-1-oxidanidyl-3,5-dihydro-2H-1,4-diazepin-1-ium Openeye Name: 2,6,6-trimethyl-4-methylsulfonyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium CAS Name: 2,6,6-trimethyl-4-methylsulfonyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium IUPAC Name: 2,6,6-trimethyl-4-methylsulfonyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium Traditional Name: 4-mesyl-2,6,6-trimethyl-1-oxido-3,5-dihydro-2H-1,4-diazepin-1-ium Formula: C9H18N2O3S MolecularWeight: 234.31582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C=[N+]1[O-])(C)C)S(=O)(=O)C

Isomeric SMILES

CC1CN(CC(C=[N+]1[O-])(C)C)S(=O)(=O)C

InChI

InChI=1S/C9H18N2O3S/c1-8-5-10(15(4,13)14)6-9(2,3)7-11(8)12/h7-8H,5-6H2,1-4H3