(5S)-6,8-dimethoxy-4-methyl-4-oxidanidyl-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium

Systemtic Name: (5S)-6,8-dimethoxy-4-methyl-4-oxidanidyl-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium Openeye Name: (5S)-6,8-dimethoxy-4-methyl-4-oxido-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium CAS Name: (5S)-6,8-dimethoxy-4-methyl-4-oxido-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium IUPAC Name: (5S)-6,8-dimethoxy-4-methyl-4-oxido-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium Traditional Name: (5S)-6,8-dimethoxy-4-methyl-4-oxido-5-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-ium Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOC2=CC(=CC(=C2C1C3=CC=CC=C3)OC)OC)[O-]

Isomeric SMILES

C[N+]1(CCOC2=CC(=CC(=C2[C@@H]1C3=CC=CC=C3)OC)OC)[O-]

InChI

InChI=1S/C18H21NO4/c1-19(20)9-10-23-16-12-14(21-2)11-15(22-3)17(16)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3/t18-,19?/m0/s1