4-[(3R)-3-(5-methylfuran-2-yl)butyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(3R)-3-(5-methylfuran-2-yl)butyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(3R)-3-(5-methyl-2-furyl)butyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(3R)-3-(5-methyl-2-furanyl)butyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(3R)-3-(5-methylfuran-2-yl)butyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(3R)-3-(5-methyl-2-furyl)butyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(O1)[C@H](C)CC[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-16(22-6-5-17(2)28-22)7-9-25-10-11-27-23-20(15-25)12-19(13-21(23)26)18-4-3-8-24-14-18/h3-6,8,12-14,16,26H,7,9-11,15H2,1-2H3/p+1/t16-/m1/s1