(6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(1H-imidazol-3-ium-2-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=[NH+]C=CN3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=[NH+]C=CN3)OCC4=CN=CC=C4

InChI

InChI=1S/C21H29N5O2/c27-21-15-25(14-20-23-9-10-24-20)12-19(28-16-17-5-4-8-22-11-17)13-26(21)18-6-2-1-3-7-18/h4-5,8-11,18-19H,1-3,6-7,12-16H2,(H,23,24)/p+2/t19-/m0/s1