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

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(2,3-dimethoxyphenyl)-4-isobutyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(2,3-dimethoxyphenyl)-4-isobutyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-15(2)13-23-9-10-27-21-17(14-23)11-16(12-20(21)25-4)18-7-6-8-19(24-3)22(18)26-5/h6-8,11-12,15H,9-10,13-14H2,1-5H3/p+1