(3-propan-2-yloxyphenyl)-[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3R)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3R)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3R)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H35N3O2/c1-20(2)31-25-10-5-7-21(17-25)26(30)22-8-6-14-29(18-22)24-11-15-28(16-12-24)19-23-9-3-4-13-27-23/h3-5,7,9-10,13,17,20,22,24H,6,8,11-12,14-16,18-19H2,1-2H3/p+2/t22-/m1/s1