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

Systemtic Name: (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(coumaran-5-ylmethyl)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H25NO3/c1-3-18-14-22(12-15-4-6-20-16(10-15)8-9-24-20)13-17-11-19(23-2)5-7-21(17)25-18/h4-7,10-11,18H,3,8-9,12-14H2,1-2H3/p+1/t18-/m0/s1