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

Systemtic Name: N-tert-butyl-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-ketopyrrolidino)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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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)N3CCCC3=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H30N4O3/c1-21(2,3)22-18(26)15-23-11-13-24(14-12-23)20(28)16-6-8-17(9-7-16)25-10-4-5-19(25)27/h6-9H,4-5,10-15H2,1-3H3,(H,22,26)/p+1