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

Systemtic Name: 4-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(2,4-dimethoxybenzyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4)OC

InChI

InChI=1S/C24H26N2O4/c1-27-21-7-6-18(22(13-21)28-2)15-26-9-10-30-24-20(16-26)11-19(12-23(24)29-3)17-5-4-8-25-14-17/h4-8,11-14H,9-10,15-16H2,1-3H3/p+1