2-[(2R)-1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2,2-diphenylethyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2/c1-30(17-22-12-13-27-19-29-22)25(32)16-24-26(33)28-14-15-31(24)18-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,19,23-24H,14-18H2,1H3,(H,28,33)/p+1/t24-/m1/s1