3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one

Systemtic Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one Openeye Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(3-pyridyloxy)-1-piperidyl]propan-1-one CAS Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(3-pyridinyloxy)-1-piperidinyl]-1-propanone IUPAC Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one Traditional Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-1-[4-(3-pyridyloxy)piperidino]propan-1-one Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CN=CC=C2)C(=O)CC[NH+]3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OC2=CN=CC=C2)C(=O)CC[NH+]3C[C@@H](OC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3/c32-28(31-17-12-24(13-18-31)33-25-10-6-15-29-19-25)14-16-30-20-23-9-4-5-11-26(23)34-27(21-30)22-7-2-1-3-8-22/h1-11,15,19,24,27H,12-14,16-18,20-21H2/p+1/t27-/m1/s1