ethyl 1-[2-[(5-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(5-amino-2-chloro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-amino-2-chloro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)N)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-2-23-16(22)11-5-7-20(8-6-11)10-15(21)19-14-9-12(18)3-4-13(14)17/h3-4,9,11H,2,5-8,10,18H2,1H3,(H,19,21)/p+1