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

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C17H22N4O3/c1-12-11-16(19-24-12)18-17(23)13(2)20-7-9-21(10-8-20)14-5-3-4-6-15(14)22/h3-6,11,13,22H,7-10H2,1-2H3,(H,18,19,23)/p+1/t13-/m0/s1