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

Systemtic Name: 1-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]piperidine-2,6-dione Openeye Name: 1-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]piperidine-2,6-dione CAS Name: 1-[4-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]piperidine-2,6-dione IUPAC Name: 1-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]piperidine-2,6-dione Traditional Name: 1-[4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]piperidine-2,6-quinone Formula: C17H24N3O5S+ MolecularWeight: 382.45456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-18-8-10-19(11-9-18)26(23,24)15-12-13(6-7-14(15)25-2)20-16(21)4-3-5-17(20)22/h6-7,12H,3-5,8-11H2,1-2H3/p+1