(3-hydroxyphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: (3-hydroxyphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: (3-hydroxyphenyl)methyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: (3-hydroxyphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (3-hydroxyphenyl)methyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (3-hydroxybenzyl)-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC(=CC=C2)O)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC(=CC=C2)O)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O/c1-13(21-11-15-4-3-5-17(24)10-15)18-12-22-19(23-14(18)2)16-6-8-20-9-7-16/h3-10,12-13,21,24H,11H2,1-2H3/p+1/t13-/m0/s1