ethyl (3R)-1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(3-chloro-2-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-(3-chloro-2-methyl-anilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C18H25ClN2O3/c1-3-24-18(23)14-6-5-10-21(12-14)11-9-17(22)20-16-8-4-7-15(19)13(16)2/h4,7-8,14H,3,5-6,9-12H2,1-2H3,(H,20,22)/p+1/t14-/m1/s1