9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isobutyl-9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methylphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isobutyl-9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC(C)C

InChI

InChI=1S/C21H27NO2/c1-15(2)13-22-9-10-24-21-19(14-22)11-18(12-20(21)23-4)17-7-5-16(3)6-8-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3/p+1