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

Systemtic Name: 9-methoxy-7-(2-methylphenyl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-benzyl-9-methoxy-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(2-methylphenyl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-benzyl-9-methoxy-7-(2-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-benzyl-9-methoxy-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H26NO2+ MolecularWeight: 360.46874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25NO2/c1-18-8-6-7-11-22(18)20-14-21-17-25(16-19-9-4-3-5-10-19)12-13-27-24(21)23(15-20)26-2/h3-11,14-15H,12-13,16-17H2,1-2H3/p+1