ethyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C17H25N3O3/c1-4-23-17(22)20-10-8-19(9-11-20)12-15(21)18-16-13(2)6-5-7-14(16)3/h5-7H,4,8-12H2,1-3H3,(H,18,21)/p+1