(3S)-1-(3,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(3,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(3,5-dimethylphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3,5-dimethylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(3,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3)C

InChI

InChI=1S/C17H22N2O2/c1-12-8-13(2)10-14(9-12)19-16(20)11-15(17(19)21)18-6-4-3-5-7-18/h8-10,15H,3-7,11H2,1-2H3/p+1/t15-/m0/s1