(6R)-6-[(3-methoxyphenyl)methoxy]-4-propan-2-yl-1-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-propan-2-yl-1-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-isopropyl-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-propan-2-yl-1-(2-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-propan-2-yl-1-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-isopropyl-6-m-anisyloxy-1-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CN(C(=O)C1)CC2=CC=CC=N2)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)[NH+]1C[C@@H](CN(C(=O)C1)CC2=CC=CC=N2)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-17(2)24-13-21(28-16-18-7-6-9-20(11-18)27-3)14-25(22(26)15-24)12-19-8-4-5-10-23-19/h4-11,17,21H,12-16H2,1-3H3/p+1/t21-/m0/s1