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

Systemtic Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(2-hydroxyethyl)acetamide CAS Name: N-(2-hydroxyethyl)-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(2-hydroxyethyl)acetamide Traditional Name: N-benzyl-2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(2-hydroxyethyl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c26-14-13-25(17-19-9-5-2-6-10-19)21(27)15-20-22(28)23-11-12-24(20)16-18-7-3-1-4-8-18/h1-10,20,26H,11-17H2,(H,23,28)/p+1/t20-/m1/s1