4-(1,4-diazepan-4-ium-1-ylcarbonyl)-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-(1,4-diazepan-4-ium-1-ylcarbonyl)-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[1,4-diazepan-4-ium-1-yl(oxo)methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-N,N-dimethyl-benzenesulfonamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-16(2)21(19,20)13-6-4-12(5-7-13)14(18)17-10-3-8-15-9-11-17/h4-7,15H,3,8-11H2,1-2H3/p+1