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

Systemtic Name: 1-[4-[[4-methoxy-3-(1-pyridin-3-ylcarbonylpiperidin-4-yl)oxy-phenyl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-methoxy-3-[[1-(pyridine-3-carbonyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-methoxy-3-[[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-methoxy-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[4-methoxy-3-[(1-nicotinoyl-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=CN=CC=C4

Isomeric SMILES

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

InChI

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