3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methyl-1,2-oxazole

Systemtic Name: 3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methyl-1,2-oxazole Openeye Name: 3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methyl-isoxazole CAS Name: 3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methylisoxazole IUPAC Name: 3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methyl-1,2-oxazole Traditional Name: 3-(1,4-diazepan-4-ium-1-ylsulfonylmethyl)-5-methyl-isoxazole Formula: C10H18N3O3S+ MolecularWeight: 260.33322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C10H17N3O3S/c1-9-7-10(12-16-9)8-17(14,15)13-5-2-3-11-4-6-13/h7,11H,2-6,8H2,1H3/p+1