7-(5-chloranyl-2-methoxy-phenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(5-chloranyl-2-methoxy-phenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(5-chloro-2-methoxy-phenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(5-chloro-2-methoxyphenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(5-chloro-2-methoxyphenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(5-chloro-2-methoxy-phenyl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H26ClN2O3+ MolecularWeight: 449.94924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H25ClN2O3/c1-30-24-8-7-20(27)14-22(24)18-11-19-15-29(9-10-32-26(19)25(13-18)31-2)16-21-12-17-5-3-4-6-23(17)28-21/h3-8,11-14,28H,9-10,15-16H2,1-2H3/p+1