N-ethyl-N-(2-methylphenyl)-1,4-diazepan-4-ium-1-sulfonamide

Systemtic Name: N-ethyl-N-(2-methylphenyl)-1,4-diazepan-4-ium-1-sulfonamide Openeye Name: N-ethyl-N-(o-tolyl)-1,4-diazepan-4-ium-1-sulfonamide CAS Name: N-ethyl-N-(2-methylphenyl)-1,4-diazepan-4-ium-1-sulfonamide IUPAC Name: N-ethyl-N-(2-methylphenyl)-1,4-diazepan-4-ium-1-sulfonamide Traditional Name: N-ethyl-N-(o-tolyl)-1,4-diazepan-4-ium-1-sulfonamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCN(C1=CC=CC=C1C)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H23N3O2S/c1-3-17(14-8-5-4-7-13(14)2)20(18,19)16-11-6-9-15-10-12-16/h4-5,7-8,15H,3,6,9-12H2,1-2H3/p+1