7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-[(2R)-1-pyridin-2-ylpropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-[(2R)-1-pyridin-2-ylpropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-4-[(1R)-1-methyl-2-(2-pyridyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-4-[(2R)-1-(2-pyridinyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-4-[(2R)-1-pyridin-2-ylpropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-4-[(1R)-1-methyl-2-(2-pyridyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C30H38N3O2+ MolecularWeight: 472.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=N1)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H](CC1=CC=CC=N1)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H37N3O2/c1-24(19-28-9-5-6-14-31-28)33-17-18-34-30-11-10-26(20-27(30)22-33)21-32-15-12-29(13-16-32)35-23-25-7-3-2-4-8-25/h2-11,14,20,24,29H,12-13,15-19,21-23H2,1H3/p+1/t24-/m1/s1