(5R)-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol

Systemtic Name: (5R)-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol Openeye Name: (5R)-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol CAS Name: (5R)-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol IUPAC Name: (5R)-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol Traditional Name: (5R)-5-coumaran-7-yl-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-ol Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C(C1)C3=CC=CC4=C3OCC4)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC4=C3OCC4)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3/p+1/t16-/m0/s1