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

Systemtic Name: 4-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpiperazin-2-one Openeye Name: 4-[2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one CAS Name: 4-[oxo-[2-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-2-piperazinone IUPAC Name: 4-[2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]piperazin-2-one Traditional Name: 4-[2-[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=CC=C2C(=O)N3CCNC(=O)C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC=C2C(=O)N3CCNC(=O)C3)CC4=CC=CC=N4

InChI

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