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

Systemtic Name: [(3S)-3-propoxypiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(3S)-3-propoxy-1-piperidyl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(3S)-3-propoxy-1-piperidinyl]-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(3S)-3-propoxypiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(3S)-3-propoxypiperidino]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CCCO[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H35N3O3/c1-2-18-31-25-7-5-15-29(20-25)26(30)21-8-10-23(11-9-21)32-24-12-16-28(17-13-24)19-22-6-3-4-14-27-22/h3-4,6,8-11,14,24-25H,2,5,7,12-13,15-20H2,1H3/p+1/t25-/m0/s1