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

Systemtic Name: (2S)-4-(cyclopropylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(cyclopropylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(cyclopropylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(cyclopropylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(cyclopropylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3CC3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3CC3

InChI

InChI=1S/C16H23NO2/c1-3-14-11-17(9-12-4-5-12)10-13-8-15(18-2)6-7-16(13)19-14/h6-8,12,14H,3-5,9-11H2,1-2H3/p+1/t14-/m0/s1