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

Systemtic Name: (3S)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(m-tolyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-methylphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-methylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(m-tolyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-12-6-5-7-13(10-12)18-15(19)11-14(16(18)20)17-8-3-2-4-9-17/h5-7,10,14H,2-4,8-9,11H2,1H3/p+1/t14-/m0/s1