(6R)-4-[(4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(4-methoxyphenyl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(4-methoxyphenyl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-p-anisyl-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O4/c1-30-24-9-7-21(8-10-24)15-27-17-25(32-20-23-5-3-2-4-6-23)18-28(26(29)19-27)16-22-11-13-31-14-12-22/h2-10,22,25H,11-20H2,1H3/p+1/t25-/m0/s1