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

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)butyramide Formula: C18H25N4O3+ MolecularWeight: 345.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-3-16(18(24)19-17-12-13(2)25-20-17)22-10-8-21(9-11-22)14-4-6-15(23)7-5-14/h4-7,12,16,23H,3,8-11H2,1-2H3,(H,19,20,24)/p+1/t16-/m0/s1