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

Systemtic Name: 9-methoxy-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-(4-methoxy-2,5-dimethyl-benzyl)-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)C)OC

InChI

InChI=1S/C25H28N2O3/c1-17-11-23(28-3)18(2)10-21(17)15-27-8-9-30-25-22(16-27)12-20(13-24(25)29-4)19-6-5-7-26-14-19/h5-7,10-14H,8-9,15-16H2,1-4H3/p+1