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

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(E)-2-methyl-3-phenyl-allyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(E)-2-methyl-3-phenyl-allyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H29N2O3+ MolecularWeight: 417.52006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

InChI

InChI=1S/C26H28N2O3/c1-19(14-20-8-5-4-6-9-20)17-28-12-13-31-26-22(18-28)15-21(16-24(26)29-2)23-10-7-11-25(27-23)30-3/h4-11,14-16H,12-13,17-18H2,1-3H3/p+1/b19-14+