2-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[[[(1S)-1-(4-bromophenyl)ethyl]amino]-oxomethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H28BrN4O2+ MolecularWeight: 460.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2/c1-16(17-7-9-18(23)10-8-17)24-22(29)26-20-11-13-27(14-12-20)15-21(28)25-19-5-3-2-4-6-19/h2-10,16,20H,11-15H2,1H3,(H,25,28)(H2,24,26,29)/p+1/t16-/m0/s1