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

Systemtic Name: (6R)-1-cyclohexyl-4-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H31N5O2/c1-25-12-19(11-24-25)13-26-14-21(29-17-18-6-5-9-23-10-18)15-27(22(28)16-26)20-7-3-2-4-8-20/h5-6,9-12,20-21H,2-4,7-8,13-17H2,1H3/p+1/t21-/m0/s1