ethyl (3S)-1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26ClN2O4+ MolecularWeight: 369.86304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4/c1-4-25-18(23)13-6-5-7-21(10-13)11-17(22)20-15-8-12(2)14(19)9-16(15)24-3/h8-9,13H,4-7,10-11H2,1-3H3,(H,20,22)/p+1/t13-/m0/s1