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

Systemtic Name: (6R)-1-cyclohexyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=C(N=CN1)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H31N5O2/c1-17-21(25-16-24-17)13-26-11-20(29-15-18-7-9-23-10-8-18)12-27(22(28)14-26)19-5-3-2-4-6-19/h7-10,16,19-20H,2-6,11-15H2,1H3,(H,24,25)/p+1/t20-/m0/s1