(6R)-4-[(3-hydroxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(3-hydroxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(3-hydroxyphenyl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(3-hydroxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(3-hydroxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(3-hydroxybenzyl)-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=CC(=CC=C2)O)CCC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=CC(=CC=C2)O)CCC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H29N3O3/c30-24-8-4-7-23(15-24)16-28-17-25(32-20-22-9-12-27-13-10-22)18-29(26(31)19-28)14-11-21-5-2-1-3-6-21/h1-10,12-13,15,25,30H,11,14,16-20H2/p+1/t25-/m0/s1