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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-propylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-propylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-propyl-4-piperidin-1-iumyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-propylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-(1-propylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H38N2O4+2 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-5-10-27-11-8-22(9-12-27)28-13-14-32-26-21(18-28)15-20(17-25(26)31-4)19-6-7-23(29-2)24(16-19)30-3/h6-7,15-17,22H,5,8-14,18H2,1-4H3/p+2