[7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-yl-methanone

Systemtic Name: [7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-yl-methanone Openeye Name: [7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-yl-methanone CAS Name: [7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazinyl)methanone IUPAC Name: [7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-ylmethanone Traditional Name: [7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyrazin-2-yl-methanone Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C27H30N4O3/c32-27(25-17-28-10-11-29-25)31-14-15-33-26-7-6-22(16-23(26)19-31)18-30-12-8-24(9-13-30)34-20-21-4-2-1-3-5-21/h1-7,10-11,16-17,24H,8-9,12-15,18-20H2/p+1