(6R)-6-methoxy-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-methoxy-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(4-benzyloxy-3-methoxy-phenyl)methyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-methoxy-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-methoxy-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(4-benzoxy-3-methoxy-benzyl)-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CN=CC=C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O4/c1-32-24-17-29(19-27(31)30(18-24)16-23-9-6-12-28-14-23)15-22-10-11-25(26(13-22)33-2)34-20-21-7-4-3-5-8-21/h3-14,24H,15-20H2,1-2H3/p+1/t24-/m0/s1