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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(3,4-dimethoxyphenyl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27NO4/c1-5-8-22-9-10-26-21-17(14-22)11-16(13-20(21)25-4)15-6-7-18(23-2)19(12-15)24-3/h6-7,11-13H,5,8-10,14H2,1-4H3/p+1