(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-2-phenylacetamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=NOC(=C4)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4=NOC(=C4)C

InChI

InChI=1S/C24H30N6O2/c1-16(2)23-25-17(3)14-21(27-23)29-10-12-30(13-11-29)22(19-8-6-5-7-9-19)24(31)26-20-15-18(4)32-28-20/h5-9,14-16,22H,10-13H2,1-4H3,(H,26,28,31)/p+1/t22-/m0/s1