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

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]butanamide Traditional Name: (2S)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)butyramide Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C20H30N6O2/c1-6-16(20(27)22-17-12-15(5)28-24-17)25-7-9-26(10-8-25)18-11-14(4)21-19(23-18)13(2)3/h11-13,16H,6-10H2,1-5H3,(H,22,24,27)/p+1/t16-/m0/s1