ethyl 3-[[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[(4-isopropoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[4-[(4-propan-2-yloxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]propanoate Traditional Name: 3-[[4-(4-isopropoxybenzyl)piperazin-4-ium-1-carbonyl]amino]propionic acid ethyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-4-26-19(24)9-10-21-20(25)23-13-11-22(12-14-23)15-17-5-7-18(8-6-17)27-16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,21,25)/p+1