(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methylbutyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methylbutyl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-isopentyl-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(3-methylbutyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methylbutyl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-isoamyl-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CC(C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H29N3O5S/c1-15(2)8-9-23-19(24)14-18(20(23)25)21-10-12-22(13-11-21)29(26,27)17-6-4-16(28-3)5-7-17/h4-7,15,18H,8-14H2,1-3H3/p+1/t18-/m1/s1