N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(pyridin-3-ylmethoxy)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(pyridin-3-ylmethoxy)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(3-pyridylmethoxy)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(3-pyridinylmethoxy)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-(pyridin-3-ylmethoxy)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(3-pyridylmethoxy)benzamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)OCC3=CN=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C27H31N3O3/c1-32-24-11-7-22(8-12-24)26(30-16-3-2-4-17-30)19-29-27(31)23-9-13-25(14-10-23)33-20-21-6-5-15-28-18-21/h5-15,18,26H,2-4,16-17,19-20H2,1H3,(H,29,31)/p+1/t26-/m0/s1