(6R)-6-[(3-methoxyphenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-[(1-methyl-4-pyrazolyl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-m-anisyloxy-4-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-1,4-diazepan-4-ium-2-one Formula: C26H33N4O3+ MolecularWeight: 449.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2C[C@@H](CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-28-15-23(14-27-28)16-29-17-25(33-20-22-9-6-10-24(13-22)32-2)18-30(26(31)19-29)12-11-21-7-4-3-5-8-21/h3-10,13-15,25H,11-12,16-20H2,1-2H3/p+1/t25-/m0/s1