1-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C17H26ClN2O4S+ MolecularWeight: 389.91734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C17H25ClN2O4S/c1-17(2,3)16(21)12-19-7-9-20(10-8-19)25(22,23)15-11-13(18)5-6-14(15)24-4/h5-6,11H,7-10,12H2,1-4H3/p+1