1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone

Systemtic Name: 1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone Openeye Name: 1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone CAS Name: 1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone Traditional Name: 1-[4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenyl]ethanone Formula: C14H21N2O3S+ MolecularWeight: 297.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-12(17)13-4-6-14(7-5-13)20(18,19)16-9-3-8-15(2)10-11-16/h4-7H,3,8-11H2,1-2H3/p+1