N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethyl-pyrimidin-3-ium-4-amine

Systemtic Name: N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethyl-pyrimidin-3-ium-4-amine Openeye Name: N-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-2,6-dimethyl-pyrimidin-3-ium-4-amine CAS Name: N-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-2,6-dimethyl-4-pyrimidin-3-iumamine IUPAC Name: N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylpyrimidin-3-ium-4-amine Traditional Name: [(2R)-coumaran-2-yl]methyl-(2,6-dimethylpyrimidin-3-ium-4-yl)amine Formula: C15H18N3O+ MolecularWeight: 256.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C)NCC2CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C)NC[C@H]2CC3=CC=CC=C3O2

InChI

InChI=1S/C15H17N3O/c1-10-7-15(18-11(2)17-10)16-9-13-8-12-5-3-4-6-14(12)19-13/h3-7,13H,8-9H2,1-2H3,(H,16,17,18)/p+1/t13-/m1/s1