N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H31N5O2/c28-21(25-16-20-5-2-15-29-20)7-6-18-8-13-26(14-9-18)17-19-4-1-12-27(19)22-23-10-3-11-24-22/h1,3-4,10-12,18,20H,2,5-9,13-17H2,(H,25,28)/p+1/t20-/m1/s1