2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[3-(3-pyridinyloxy)propyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c27-21(24-11-5-15-29-19-8-4-10-23-17-19)16-20-22(28)25-12-14-26(20)13-9-18-6-2-1-3-7-18/h1-4,6-8,10,17,20H,5,9,11-16H2,(H,24,27)(H,25,28)/p+1/t20-/m1/s1