N-tert-butyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-[4-(3-pyridinylmethoxy)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-23(2,3)25-21(28)16-26-11-13-27(14-12-26)22(29)19-6-8-20(9-7-19)30-17-18-5-4-10-24-15-18/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,28)/p+1