(3R)-1-(3-chloranyl-4-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-chloranyl-4-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-chloro-4-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-4-methylphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-chloro-4-methylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-chloro-4-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H20ClN2O2+ MolecularWeight: 307.7952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O2/c1-11-5-6-12(9-13(11)17)19-15(20)10-14(16(19)21)18-7-3-2-4-8-18/h5-6,9,14H,2-4,7-8,10H2,1H3/p+1/t14-/m1/s1