[(2S)-2-ethylpiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone

Systemtic Name: [(2S)-2-ethylpiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Openeye Name: [(2S)-2-ethyl-1-piperidyl]-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone CAS Name: [(2S)-2-ethyl-1-piperidinyl]-[5-methyl-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(2S)-2-ethylpiperidin-1-yl]-[5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(2S)-2-ethylpiperidino]-[5-methyl-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]methanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=C(C=CC(=C2)C)OC3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=C(C=CC(=C2)C)OC3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C26H35N3O2/c1-3-22-6-4-5-15-29(22)26(30)24-18-20(2)7-8-25(24)31-23-11-16-28(17-12-23)19-21-9-13-27-14-10-21/h7-10,13-14,18,22-23H,3-6,11-12,15-17,19H2,1-2H3/p+1/t22-/m0/s1