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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[2-(3-pyridinyloxy)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[2-(3-pyridyloxy)ethyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCOC2=CN=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCOC2=CN=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c26-20(23-11-14-28-18-7-4-9-22-16-18)15-19-21(27)24-10-13-25(19)12-8-17-5-2-1-3-6-17/h1-7,9,16,19H,8,10-15H2,(H,23,26)(H,24,27)/p+1/t19-/m1/s1