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

Systemtic Name: [(3S)-3-oxidanylpiperidin-1-yl]-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(3S)-3-hydroxy-1-piperidyl]-[3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[3-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(3S)-3-hydroxypiperidino]-[3-[1-(4-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(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC4=CC=NC=C4)O

InChI

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