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

Systemtic Name: (3S)-1-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H21ClN2O3/c1-11-8-13(15(23-2)9-12(11)18)20-16(21)10-14(17(20)22)19-6-4-3-5-7-19/h8-9,14H,3-7,10H2,1-2H3/p+1/t14-/m0/s1