[(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)chroman-4-yl]ammonium CAS Name: [(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3R,4R)-3-(2-methyl-1H-imidazol-3-ium-3-yl)chroman-4-yl]ammonium Formula: C13H17N3O+2 MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)C2COC3=CC=CC=C3C2[NH3+]

Isomeric SMILES

CC1=[N+](C=CN1)[C@H]2COC3=CC=CC=C3[C@H]2[NH3+]

InChI

InChI=1S/C13H15N3O/c1-9-15-6-7-16(9)11-8-17-12-5-3-2-4-10(12)13(11)14/h2-7,11,13H,8,14H2,1H3/p+2/t11-,13+/m0/s1