(2R)-N-(2-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-phenylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-phenylphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H25N5O/c1-18(27-14-16-28(17-15-27)23-24-12-7-13-25-23)22(29)26-21-11-6-5-10-20(21)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,26,29)/p+1/t18-/m1/s1