N-ethyl-2-[4-[4-(phenylcarbamoylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-2-[4-[4-(phenylcarbamoylamino)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-ethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[4-[[anilino(oxo)methyl]amino]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-ethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O3/c1-2-23-20(28)16-26-12-14-27(15-13-26)21(29)17-8-10-19(11-9-17)25-22(30)24-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,23,28)(H2,24,25,30)/p+1