2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-phenylmethoxypiperidin-1-yl)ethanone

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-phenylmethoxypiperidin-1-yl)ethanone Openeye Name: 1-(4-benzyloxy-1-piperidyl)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone CAS Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-phenylmethoxy-1-piperidinyl)ethanone IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-phenylmethoxypiperidin-1-yl)ethanone Traditional Name: 1-(4-benzoxypiperidino)-2-[(2S)-8-methoxy-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanone Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O4/c1-19-15-26(16-21-8-9-23(29-2)14-24(21)31-19)17-25(28)27-12-10-22(11-13-27)30-18-20-6-4-3-5-7-20/h3-9,14,19,22H,10-13,15-18H2,1-2H3/p+1/t19-/m0/s1