1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-1-yl]ethanone Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O3/c1-20(30)28-13-4-14-29(18-17-28)25(31)21-6-8-23(9-7-21)32-24-10-15-27(16-11-24)19-22-5-2-3-12-26-22/h2-3,5-9,12,24H,4,10-11,13-19H2,1H3/p+1