(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

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