N-butyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N5O3+ MolecularWeight: 418.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O3/c1-4-5-10-23-20(28)16-26-11-13-27(14-12-26)21(29)19-8-6-18(7-9-19)15-24-22(30)25-17(2)3/h6-9,17H,4-5,10-16H2,1-3H3,(H,23,28)(H2,24,25,30)/p+1