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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-[3-(3-pyridinyloxy)propyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-yloxypropyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[3-(3-pyridyloxy)propyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCOC2=CN=CC=C2)CC3=CC=CC=C3

InChI

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