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

Systemtic Name: 4-(cyclopropylmethyl)-7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-4-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(cyclopropylmethyl)-7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(cyclopropylmethyl)-7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H36N2O2+2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC1C[NH+]2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H34N2O2/c1-2-4-22(5-3-1)20-30-25-10-12-27(13-11-25)18-23-8-9-26-24(16-23)19-28(14-15-29-26)17-21-6-7-21/h1-5,8-9,16,21,25H,6-7,10-15,17-20H2/p+2