1,4-diazepan-4-ium-1-yl-(3-methylsulfonylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methylsulfonylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-methylsulfonylphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-methylsulfonylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-methylsulfonylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-mesylphenyl)methanone Formula: C13H19N2O3S+ MolecularWeight: 283.36656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H18N2O3S/c1-19(17,18)12-5-2-4-11(10-12)13(16)15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9H2,1H3/p+1