N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1S)-indan-1-yl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1S)-indan-1-yl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CC2=CC=CC=C2[C@H]1NC(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H29N3O2/c31-27(29-26-13-10-20-5-1-2-7-25(20)26)21-8-11-23(12-9-21)32-24-14-17-30(18-15-24)19-22-6-3-4-16-28-22/h1-9,11-12,16,24,26H,10,13-15,17-19H2,(H,29,31)/p+1/t26-/m0/s1