(2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-o-phenetyl-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O2/c1-2-31-21-12-7-6-11-20(21)27-23(30)22(19-9-4-3-5-10-19)28-15-17-29(18-16-28)24-25-13-8-14-26-24/h3-14,22H,2,15-18H2,1H3,(H,27,30)/p+1/t22-/m0/s1