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

Systemtic Name: (6R)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C24H35N4O2+ MolecularWeight: 411.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H34N4O2/c1-19-21(13-26(2)25-19)14-27-15-23(30-18-20-9-5-3-6-10-20)16-28(24(29)17-27)22-11-7-4-8-12-22/h3,5-6,9-10,13,22-23H,4,7-8,11-12,14-18H2,1-2H3/p+1/t23-/m0/s1