ethyl 3-[[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]propanoate CAS Name: 3-[[[4-[(4-tert-butylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]propanoate Traditional Name: 3-[[4-(4-tert-butylbenzyl)piperazin-4-ium-1-carbonyl]amino]propionic acid ethyl ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-5-27-19(25)10-11-22-20(26)24-14-12-23(13-15-24)16-17-6-8-18(9-7-17)21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,22,26)/p+1