ethyl 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H34N3O4+ MolecularWeight: 392.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-5-27-20(26)24-13-11-23(12-14-24)16-19(25)22-10-15-28-18-8-6-17(7-9-18)21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,22,25)/p+1