methyl 1-[(3R)-1-(3-chloranyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(3R)-1-(3-chloranyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3R)-1-(3-chloro-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-1-(3-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-1-(3-chloro-2-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H21ClN2O4/c1-11-13(19)4-3-5-14(11)21-16(22)10-15(17(21)23)20-8-6-12(7-9-20)18(24)25-2/h3-5,12,15H,6-10H2,1-2H3/p+1/t15-/m1/s1