2-[4-[2-(3-chlorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(3-chlorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(3-chlorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[[2-(3-chlorophenyl)ethylamino]-oxomethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(3-chlorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(3-chlorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NCCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O2/c23-18-6-4-5-17(15-18)9-12-24-22(29)26-20-10-13-27(14-11-20)16-21(28)25-19-7-2-1-3-8-19/h1-8,15,20H,9-14,16H2,(H,25,28)(H2,24,26,29)/p+1