1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C17H26FN2O3S+ MolecularWeight: 357.463343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN2O3S/c1-17(2,3)16(21)13-19-9-4-10-20(12-11-19)24(22,23)15-7-5-14(18)6-8-15/h5-8H,4,9-13H2,1-3H3/p+1