ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3,5-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-4-23-17(22)20-7-5-19(6-8-20)12-16(21)18-15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,18,21)/p+1