(6R)-4-[(1-methylindol-3-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(1-methylindol-3-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(1-methylindol-3-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1-methyl-3-indolyl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(1-methylindol-3-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(1-methylindol-3-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C28H36N3O3+ MolecularWeight: 462.60374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3C[C@@H](CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H35N3O3/c1-29-16-24(26-9-5-6-10-27(26)29)17-30-18-25(34-21-23-7-3-2-4-8-23)19-31(28(32)20-30)15-22-11-13-33-14-12-22/h2-10,16,22,25H,11-15,17-21H2,1H3/p+1/t25-/m0/s1