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

Systemtic Name: 4-(naphthalen-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(2-naphthylmethyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(2-naphthalenylmethyl)-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(naphthalen-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-naphthylmethyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2O)C5=CN=CC=C5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2O)C5=CN=CC=C5

InChI

InChI=1S/C25H22N2O2/c28-24-14-22(21-6-3-9-26-15-21)13-23-17-27(10-11-29-25(23)24)16-18-7-8-19-4-1-2-5-20(19)12-18/h1-9,12-15,28H,10-11,16-17H2/p+1