(2S)-2-methoxy-2-phenyl-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: (2S)-2-methoxy-2-phenyl-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: (2S)-2-methoxy-2-phenyl-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: (2S)-2-methoxy-2-phenyl-1-[7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: (2S)-2-methoxy-2-phenyl-1-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: (2S)-2-methoxy-2-phenyl-1-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C29H33N3O4/c1-34-28(23-6-3-2-4-7-23)29(33)32-16-17-35-27-10-9-22(18-24(27)21-32)20-31-14-11-25(12-15-31)36-26-8-5-13-30-19-26/h2-10,13,18-19,25,28H,11-12,14-17,20-21H2,1H3/p+1/t28-/m0/s1