[(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [(S)-[(2R)-2,3-dihydrobenzofuran-2-yl]-(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [(S)-[(2R)-2,3-dihydrobenzofuran-2-yl]-(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(S)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(S)-[(2R)-coumaran-2-yl]-(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C2CC3=CC=CC=C3O2)[NH3+]

Isomeric SMILES

CN1C=C(C=N1)[C@@H]([C@H]2CC3=CC=CC=C3O2)[NH3+]

InChI

InChI=1S/C13H15N3O/c1-16-8-10(7-15-16)13(14)12-6-9-4-2-3-5-11(9)17-12/h2-5,7-8,12-13H,6,14H2,1H3/p+1/t12-,13+/m1/s1