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

Systemtic Name: ethyl 4-[3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(2,5-dimethylanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,5-dimethylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(2,5-dimethylanilino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-24-18(23)21-11-9-20(10-12-21)8-7-17(22)19-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3,(H,19,22)/p+1