1-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-methoxy-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-methoxy-phenyl]piperidine-2,6-dione Openeye Name: 1-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-methoxy-phenyl]piperidine-2,6-dione CAS Name: 1-[3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-4-methoxyphenyl]piperidine-2,6-dione IUPAC Name: 1-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-methoxyphenyl]piperidine-2,6-dione Traditional Name: 1-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-methoxy-phenyl]piperidine-2,6-quinone Formula: C18H26N3O5S+ MolecularWeight: 396.48114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)N3C(=O)CCCC3=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)N3C(=O)CCCC3=O)OC

InChI

InChI=1S/C18H25N3O5S/c1-3-19-9-11-20(12-10-19)27(24,25)16-13-14(7-8-15(16)26-2)21-17(22)5-4-6-18(21)23/h7-8,13H,3-6,9-12H2,1-2H3/p+1