(6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C25H38N5O2+ MolecularWeight: 440.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4)C

InChI

InChI=1S/C25H37N5O2/c1-4-30-20(3)24(19(2)27-30)16-28-14-23(32-18-21-10-12-26-13-11-21)15-29(25(31)17-28)22-8-6-5-7-9-22/h10-13,22-23H,4-9,14-18H2,1-3H3/p+1/t23-/m0/s1