ethyl 5-[(4-chlorophenyl)amino]-2-(diethylamino)-2-ethyl-1,2,3-triazol-2-ium-4-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)amino]-2-(diethylamino)-2-ethyl-1,2,3-triazol-2-ium-4-carboxylate Openeye Name: ethyl 5-(4-chloroanilino)-2-(diethylamino)-2-ethyl-triazol-2-ium-4-carboxylate CAS Name: 5-(4-chloroanilino)-2-(diethylamino)-2-ethyl-4-triazol-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chloroanilino)-2-(diethylamino)-2-ethyltriazol-2-ium-4-carboxylate Traditional Name: 5-(4-chloroanilino)-2-(diethylamino)-2-ethyl-triazol-2-ium-4-carboxylic acid ethyl ester Formula: C17H25ClN5O2+ MolecularWeight: 366.8657

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[N+]1(N=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)OCC)CC

Isomeric SMILES

CCN(CC)[N+]1(N=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)OCC)CC

InChI

InChI=1S/C17H25ClN5O2/c1-5-22(6-2)23(7-3)20-15(17(24)25-8-4)16(21-23)19-14-11-9-13(18)10-12-14/h9-12H,5-8H2,1-4H3,(H,19,21)/q+1