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

Systemtic Name: furan-3-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: 3-furylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: 3-furanylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: furan-3-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: 3-furfuryl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C17H19N4O+ MolecularWeight: 295.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O/c1-12(19-9-14-5-8-22-11-14)16-10-20-17(21-13(16)2)15-3-6-18-7-4-15/h3-8,10-12,19H,9H2,1-2H3/p+1/t12-/m0/s1