2-[4-[2-(4-chloranylphenoxy)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[[2-(4-chlorophenoxy)ethylamino]-oxomethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H28ClN4O3+ MolecularWeight: 431.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCCOC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NCCOC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O3/c23-17-6-8-20(9-7-17)30-15-12-24-22(29)26-19-10-13-27(14-11-19)16-21(28)25-18-4-2-1-3-5-18/h1-9,19H,10-16H2,(H,25,28)(H2,24,26,29)/p+1