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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=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/c1-33-25-10-5-9-22(17-25)18-30-16-6-11-27(31)26(19-30)29-28(32)23-12-14-24(15-13-23)34-20-21-7-3-2-4-8-21/h2-5,7-10,12-15,17,26-27,31H,6,11,16,18-20H2,1H3,(H,29,32)/p+1/t26-,27-/m1/s1