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

Systemtic Name: [(2S)-2-ethylpiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(2S)-2-ethyl-1-piperidyl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(2S)-2-ethyl-1-piperidinyl]-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(2S)-2-ethylpiperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(2S)-2-ethylpiperidino]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H33N3O2/c1-2-22-8-4-6-16-28(22)25(29)20-9-11-23(12-10-20)30-24-13-17-27(18-14-24)19-21-7-3-5-15-26-21/h3,5,7,9-12,15,22,24H,2,4,6,8,13-14,16-19H2,1H3/p+1/t22-/m0/s1