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

Systemtic Name: (6R)-4-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(3,4-dimethoxyphenyl)methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-phenethyl-6-(4-pyridylmethoxy)-4-veratryl-1,4-diazepan-4-ium-2-one Formula: C28H34N3O4+ MolecularWeight: 476.58726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2C[C@@H](CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)OC

InChI

InChI=1S/C28H33N3O4/c1-33-26-9-8-24(16-27(26)34-2)17-30-18-25(35-21-23-10-13-29-14-11-23)19-31(28(32)20-30)15-12-22-6-4-3-5-7-22/h3-11,13-14,16,25H,12,15,17-21H2,1-2H3/p+1/t25-/m0/s1