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

Systemtic Name: [(3S)-3-oxidanylpiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(3S)-3-hydroxy-1-piperidyl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(3S)-3-hydroxypiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(3S)-3-hydroxypiperidino]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)O

InChI

InChI=1S/C23H29N3O3/c27-20-5-3-13-26(17-20)23(28)18-6-8-21(9-7-18)29-22-10-14-25(15-11-22)16-19-4-1-2-12-24-19/h1-2,4,6-9,12,20,22,27H,3,5,10-11,13-17H2/p+1/t20-/m0/s1