ethyl 4-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dichloroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dichloroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3,4-dichloroanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H20Cl2N3O3+ MolecularWeight: 361.2436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19Cl2N3O3/c1-2-23-15(22)20-7-5-19(6-8-20)10-14(21)18-11-3-4-12(16)13(17)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,18,21)/p+1