(3S)-1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(2-methoxyphenyl)-3-(4-methyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3OC

InChI

InChI=1S/C16H21N3O3/c1-17-7-9-18(10-8-17)13-11-15(20)19(16(13)21)12-5-3-4-6-14(12)22-2/h3-6,13H,7-11H2,1-2H3/p+1/t13-/m0/s1