4-(furan-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-(furan-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(2-furylmethyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(2-furanylmethyl)-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(furan-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-furfuryl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CO3)C=C(C=C2O)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CO3)C=C(C=C2O)C4=CN=CC=C4

InChI

InChI=1S/C19H18N2O3/c22-18-10-15(14-3-1-5-20-11-14)9-16-12-21(6-8-24-19(16)18)13-17-4-2-7-23-17/h1-5,7,9-11,22H,6,8,12-13H2/p+1