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

Systemtic Name: N-[(3R,4R)-1-(1-methylpiperidin-1-ium-4-yl)-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium-3-yl]benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(1-methyl-4-piperidin-1-iumyl)-3-azepan-1-iumyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium-3-yl]benzamide Formula: C26H37N3O3+2 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H35N3O3/c1-28-16-13-22(14-17-28)29-15-5-8-25(30)24(18-29)27-26(31)21-9-11-23(12-10-21)32-19-20-6-3-2-4-7-20/h2-4,6-7,9-12,22,24-25,30H,5,8,13-19H2,1H3,(H,27,31)/p+2/t24-,25-/m1/s1