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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H25N5O/c1-18-8-10-20(11-9-18)26-22(29)21(19-6-3-2-4-7-19)27-14-16-28(17-15-27)23-24-12-5-13-25-23/h2-13,21H,14-17H2,1H3,(H,26,29)/p+1/t21-/m0/s1