9-methoxy-4-[(3-methoxyphenyl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(3-methoxyphenyl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(3-methoxyphenyl)methyl]-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(3-methoxyphenyl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(3-methoxyphenyl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-m-anisyl-9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-18-7-9-20(10-8-18)21-14-22-17-26(11-12-29-25(22)24(15-21)28-3)16-19-5-4-6-23(13-19)27-2/h4-10,13-15H,11-12,16-17H2,1-3H3/p+1