4-[(2-methoxynaphthalen-1-yl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(2-methoxynaphthalen-1-yl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(2-methoxy-1-naphthyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(2-methoxy-1-naphthalenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(2-methoxynaphthalen-1-yl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(2-methoxy-1-naphthyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CCOC4=C(C3)C=C(C=C4O)C5=CC=CC=N5

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CCOC4=C(C3)C=C(C=C4O)C5=CC=CC=N5

InChI

InChI=1S/C26H24N2O3/c1-30-25-10-9-18-6-2-3-7-21(18)22(25)17-28-12-13-31-26-20(16-28)14-19(15-24(26)29)23-8-4-5-11-27-23/h2-11,14-15,29H,12-13,16-17H2,1H3/p+1