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

Systemtic Name: 4-(1H-indol-2-ylmethyl)-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(1H-indol-2-ylmethyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(1H-indol-2-ylmethyl)-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(1H-indol-2-ylmethyl)-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(1H-indol-2-ylmethyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4N3)C=C(C=C2O)C5=CC=CC=N5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4N3)C=C(C=C2O)C5=CC=CC=N5

InChI

InChI=1S/C23H21N3O2/c27-22-13-17(20-6-3-4-8-24-20)11-18-14-26(9-10-28-23(18)22)15-19-12-16-5-1-2-7-21(16)25-19/h1-8,11-13,25,27H,9-10,14-15H2/p+1