(3S)-1-(5-chloranyl-2-methoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(5-chloranyl-2-methoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(5-chloro-2-methoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H20ClN2O3+ MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C16H19ClN2O3/c1-22-14-6-5-11(17)9-12(14)19-15(20)10-13(16(19)21)18-7-3-2-4-8-18/h5-6,9,13H,2-4,7-8,10H2,1H3/p+1/t13-/m0/s1