N-[(1R)-1,2-diphenylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O/c30-23(19-28-14-16-29(17-15-28)24-25-12-7-13-26-24)27-22(21-10-5-2-6-11-21)18-20-8-3-1-4-9-20/h1-13,22H,14-19H2,(H,27,30)/p+1/t22-/m1/s1