(6R)-1-cyclohexyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C23H33N5O2/c1-18-19(12-25-26(18)2)13-27-14-22(30-17-20-8-6-7-11-24-20)15-28(23(29)16-27)21-9-4-3-5-10-21/h6-8,11-12,21-22H,3-5,9-10,13-17H2,1-2H3/p+1/t22-/m0/s1