7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-4-(2-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-(2-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H34N2O2S+2 MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCC[NH+](C4)CC5=CC=CS5

InChI

InChI=1S/C27H32N2O2S/c1-2-5-22(6-3-1)21-31-25-10-12-28(13-11-25)18-23-8-9-27-24(17-23)19-29(14-15-30-27)20-26-7-4-16-32-26/h1-9,16-17,25H,10-15,18-21H2/p+2