(2S)-2-ethyl-7-methoxy-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-ethyl-7-methoxy-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-7-methoxy-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-7-methoxy-4-[(3-methyl-2-thiophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-7-methoxy-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H24NO2S+ MolecularWeight: 318.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=C(C=CS3)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=C(C=CS3)C

InChI

InChI=1S/C18H23NO2S/c1-4-15-11-19(12-18-13(2)7-8-22-18)10-14-9-16(20-3)5-6-17(14)21-15/h5-9,15H,4,10-12H2,1-3H3/p+1/t15-/m0/s1