9-methoxy-4-[(4-methoxynaphthalen-1-yl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(4-methoxynaphthalen-1-yl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(4-methoxy-1-naphthyl)methyl]-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(4-methoxy-1-naphthalenyl)methyl]-7-(6-methoxy-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(4-methoxynaphthalen-1-yl)methyl]-7-(6-methoxypyridin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(4-methoxy-1-naphthyl)methyl]-7-(6-methoxy-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H29N2O4+ MolecularWeight: 457.54086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

InChI

InChI=1S/C28H28N2O4/c1-31-25-12-11-19(22-7-4-5-8-23(22)25)17-30-13-14-34-28-21(18-30)15-20(16-26(28)32-2)24-9-6-10-27(29-24)33-3/h4-12,15-16H,13-14,17-18H2,1-3H3/p+1