(6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CNN=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CNN=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H29N5O2/c27-21-15-25(12-17-10-23-24-11-17)13-20(28-16-18-6-4-5-9-22-18)14-26(21)19-7-2-1-3-8-19/h4-6,9-11,19-20H,1-3,7-8,12-16H2,(H,23,24)/p+1/t20-/m0/s1