1,2-oxazinan-2-yl-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: 1,2-oxazinan-2-yl-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: oxazinan-2-yl-[3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: 2-oxazinanyl-[3-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: oxazinan-2-yl-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: oxazinan-2-yl-[3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCON(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H27N3O3/c26-22(25-12-1-2-15-27-25)19-4-3-5-21(16-19)28-20-8-13-24(14-9-20)17-18-6-10-23-11-7-18/h3-7,10-11,16,20H,1-2,8-9,12-15,17H2/p+1