[(2R)-3-(4-hydroxyphenyl)-1-[[5-methyl-2-oxidanylidene-6-(phenylmethyl)-1H-pyrazin-3-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2R)-3-(4-hydroxyphenyl)-1-[[5-methyl-2-oxidanylidene-6-(phenylmethyl)-1H-pyrazin-3-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1R)-2-[(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)methylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium chloride CAS Name: [(2R)-3-(4-hydroxyphenyl)-1-[[5-methyl-2-oxo-6-(phenylmethyl)-1H-pyrazin-3-yl]methylamino]-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2R)-1-[(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1R)-2-[(6-benzyl-2-keto-5-methyl-1H-pyrazin-3-yl)methylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium chloride Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CNC(=O)C(CC2=CC=C(C=C2)O)[NH3+])CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CNC(=O)[C@@H](CC2=CC=C(C=C2)O)[NH3+])CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H24N4O3.ClH/c1-14-19(12-15-5-3-2-4-6-15)26-22(29)20(25-14)13-24-21(28)18(23)11-16-7-9-17(27)10-8-16;/h2-10,18,27H,11-13,23H2,1H3,(H,24,28)(H,26,29);1H/t18-;/m1./s1