(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C23H25ClN5O+ MolecularWeight: 422.9305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O/c1-17-8-9-19(16-20(17)24)27-22(30)21(18-6-3-2-4-7-18)28-12-14-29(15-13-28)23-25-10-5-11-26-23/h2-11,16,21H,12-15H2,1H3,(H,27,30)/p+1/t21-/m0/s1