[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-methylsulfonylphenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-methylsulfonylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(4-methylsulfonylphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(4-methylsulfonylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(4-methylsulfonylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(4-mesylphenyl)ammonium Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C15H22N2O3S/c1-21(19,20)14-8-6-13(7-9-14)16-12-15(18)17-10-4-2-3-5-11-17/h6-9,16H,2-5,10-12H2,1H3/p+1