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

Systemtic Name: (6R)-4-(1-benzothiophen-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-(benzothiophen-2-ylmethyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1-benzothiophen-2-ylmethyl)-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(1-benzothiophen-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(benzothiophen-2-ylmethyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(C[NH+](CC2=O)CC3=CC4=CC=CC=C4S3)OCC5=CC=NC=C5

Isomeric SMILES

C1COCCC1CN2C[C@H](C[NH+](CC2=O)CC3=CC4=CC=CC=C4S3)OCC5=CC=NC=C5

InChI

InChI=1S/C26H31N3O3S/c30-26-18-28(17-24-13-22-3-1-2-4-25(22)33-24)15-23(32-19-21-5-9-27-10-6-21)16-29(26)14-20-7-11-31-12-8-20/h1-6,9-10,13,20,23H,7-8,11-12,14-19H2/p+1/t23-/m0/s1