1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S/c1-17(2,3)16(20)13-18-9-11-19(12-10-18)24(21,22)15-7-5-14(23-4)6-8-15/h5-8H,9-13H2,1-4H3/p+1