N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-pyrrolidinoanilino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N5O2+ MolecularWeight: 402.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H35N5O2/c1-22(2,3)24-21(29)17-26-14-12-25(13-15-26)16-20(28)23-18-6-8-19(9-7-18)27-10-4-5-11-27/h6-9H,4-5,10-17H2,1-3H3,(H,23,28)(H,24,29)/p+1