(6R)-4-(furan-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(furan-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(2-furylmethyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(2-furanylmethyl)-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(furan-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(2-furfuryl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CC=CO3)OCC4=CC=NC=C4

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CC=CO3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H29N3O4/c26-22-16-24(13-20-2-1-9-28-20)14-21(29-17-19-3-7-23-8-4-19)15-25(22)12-18-5-10-27-11-6-18/h1-4,7-9,18,21H,5-6,10-17H2/p+1/t21-/m0/s1