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

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-benzyl-7-(2,3-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-benzyl-7-(2,3-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-benzyl-7-(2,3-dimethoxyphenyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27NO4/c1-27-22-11-7-10-21(25(22)29-3)19-14-20-17-26(16-18-8-5-4-6-9-18)12-13-30-24(20)23(15-19)28-2/h4-11,14-15H,12-13,16-17H2,1-3H3/p+1