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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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