4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpiperazin-2-one Openeye Name: 4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one CAS Name: 4-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-2-piperazinone IUPAC Name: 4-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Traditional Name: 4-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCNC(=O)C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCNC(=O)C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O3/c27-21-16-26(14-11-24-21)22(28)17-4-6-19(7-5-17)29-20-8-12-25(13-9-20)15-18-3-1-2-10-23-18/h1-7,10,20H,8-9,11-16H2,(H,24,27)/p+1