1-[4-[[4-methoxy-3-(1-pyridin-2-ylcarbonylpiperidin-4-yl)oxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[4-methoxy-3-(1-pyridin-2-ylcarbonylpiperidin-4-yl)oxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-methoxy-3-[[1-(pyridine-2-carbonyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-methoxy-3-[[1-[oxo(2-pyridinyl)methyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-methoxy-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[4-methoxy-3-[(1-picolinoyl-4-piperidyl)oxy]benzyl]piperazin-4-ium-1-yl]ethanone Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H32N4O4/c1-19(30)28-15-13-27(14-16-28)18-20-6-7-23(32-2)24(17-20)33-21-8-11-29(12-9-21)25(31)22-5-3-4-10-26-22/h3-7,10,17,21H,8-9,11-16,18H2,1-2H3/p+1