(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]butanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyramide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H23N5O2/c1-3-14(17(23)19-15-12-13(2)24-20-15)21-8-10-22(11-9-21)16-6-4-5-7-18-16/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,20,23)/p+1/t14-/m0/s1