4-[[4-[2-[(2R)-1-pyridin-2-ylcarbonylpiperidin-2-yl]ethoxy]phenyl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[4-[2-[(2R)-1-pyridin-2-ylcarbonylpiperidin-2-yl]ethoxy]phenyl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[4-[2-[(2R)-1-(pyridine-2-carbonyl)-2-piperidyl]ethoxy]phenyl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[4-[2-[(2R)-1-[oxo(2-pyridinyl)methyl]-2-piperidinyl]ethoxy]phenyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[4-[2-[(2R)-1-(pyridine-2-carbonyl)piperidin-2-yl]ethoxy]phenyl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[4-[2-[(2R)-1-picolinoyl-2-piperidyl]ethoxy]benzyl]piperazin-4-ium-1-carbaldehyde Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C=O)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCN([C@H](C1)CCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C=O)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H32N4O3/c30-20-28-16-14-27(15-17-28)19-21-7-9-23(10-8-21)32-18-11-22-5-2-4-13-29(22)25(31)24-6-1-3-12-26-24/h1,3,6-10,12,20,22H,2,4-5,11,13-19H2/p+1/t22-/m1/s1