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

Systemtic Name: 9-methoxy-4-[(4-methoxy-3-methyl-phenyl)methyl]-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(4-methoxy-3-methyl-phenyl)methyl]-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(4-methoxy-3-methylphenyl)methyl]-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(4-methoxy-3-methylphenyl)methyl]-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-(4-methoxy-3-methyl-benzyl)-7-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4/c1-18-12-19(8-9-24(18)29-3)16-27-10-11-31-26-22(17-27)13-21(15-25(26)30-4)20-6-5-7-23(14-20)28-2/h5-9,12-15H,10-11,16-17H2,1-4H3/p+1