3-imidazol-1-ylpropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-(3-imidazol-1-ylpropyl)ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)O)[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1[C@H](C2=C(O1)C=C(C=C2)O)[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C14H17N3O2/c18-11-2-3-12-13(9-19-14(12)8-11)16-4-1-6-17-7-5-15-10-17/h2-3,5,7-8,10,13,16,18H,1,4,6,9H2/p+1/t13-/m1/s1