(2S)-4-(2,2-dimethylpropyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-(2,2-dimethylpropyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(2,2-dimethylpropyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(2,2-dimethylpropyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(2,2-dimethylpropyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-neopentyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC(C)(C)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC(C)(C)C

InChI

InChI=1S/C17H27NO2/c1-6-14-11-18(12-17(2,3)4)10-13-9-15(19-5)7-8-16(13)20-14/h7-9,14H,6,10-12H2,1-5H3/p+1/t14-/m0/s1