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

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NC(=CC=C3)OC

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NC(=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-5-15(2)13-23-9-10-26-21-17(14-23)11-16(12-19(21)24-3)18-7-6-8-20(22-18)25-4/h5-8,11-12H,9-10,13-14H2,1-4H3/p+1/b15-5+