N-[(3R,4R)-1-[(4-methoxyphenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-[(4-methoxyphenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-1-ium-3-yl]benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-azepan-1-iumyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]azepan-1-ium-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-p-anisyl-azepan-1-ium-3-yl]benzamide Formula: C28H33N2O4+ MolecularWeight: 461.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-33-24-13-9-21(10-14-24)18-30-17-5-8-27(31)26(19-30)29-28(32)23-11-15-25(16-12-23)34-20-22-6-3-2-4-7-22/h2-4,6-7,9-16,26-27,31H,5,8,17-20H2,1H3,(H,29,32)/p+1/t26-,27-/m1/s1