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

Systemtic Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-o-anisyl-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C23H24N2O3/c1-26-21-8-4-3-6-18(21)15-25-10-11-28-23-20(16-25)12-19(13-22(23)27-2)17-7-5-9-24-14-17/h3-9,12-14H,10-11,15-16H2,1-2H3/p+1