(6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-indan-2-yl-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-indan-2-yl-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)[NH+]3CC(CN(C(=O)C3)CC4=CN=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1C2CC3=CC=CC=C3C2)CC4=CN=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-27-19-29(25-13-23-10-4-5-11-24(23)14-25)17-26(32-20-21-7-2-1-3-8-21)18-30(27)16-22-9-6-12-28-15-22/h1-12,15,25-26H,13-14,16-20H2/p+1/t26-/m0/s1