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

Systemtic Name: (6R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H30N5O2+ MolecularWeight: 420.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O2/c1-19-22(13-27(2)26-19)14-28-15-23(31-18-20-7-4-3-5-8-20)16-29(24(30)17-28)12-21-9-6-10-25-11-21/h3-11,13,23H,12,14-18H2,1-2H3/p+1/t23-/m0/s1