7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methyl-4-piperidin-1-iumyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H34N2O4+2 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H32N2O4/c1-25-9-7-20(8-10-25)26-11-12-30-24-19(16-26)13-18(15-23(24)29-4)17-5-6-21(27-2)22(14-17)28-3/h5-6,13-15,20H,7-12,16H2,1-4H3/p+2