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

Systemtic Name: 9-methoxy-4-(naphthalen-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-(2-naphthylmethyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-(2-naphthalenylmethyl)-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-(naphthalen-2-ylmethyl)-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-(2-naphthylmethyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H25N2O2+ MolecularWeight: 397.4889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

InChI

InChI=1S/C26H24N2O2/c1-29-25-15-23(22-7-4-10-27-16-22)14-24-18-28(11-12-30-26(24)25)17-19-8-9-20-5-2-3-6-21(20)13-19/h2-10,13-16H,11-12,17-18H2,1H3/p+1