ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23ClN3O3+ MolecularWeight: 340.82512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H22ClN3O3/c1-3-23-16(22)20-9-7-19(8-10-20)11-15(21)18-14-6-4-5-13(17)12(14)2/h4-6H,3,7-11H2,1-2H3,(H,18,21)/p+1