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

Systemtic Name: 4-(naphthalen-2-ylmethyl)-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(2-naphthylmethyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(2-naphthalenylmethyl)-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(naphthalen-2-ylmethyl)-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-naphthylmethyl)-7-(2-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=CC=CC=N5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2O)C5=CC=CC=N5

InChI

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