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

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[[1-(3-pyridyl)pyrrol-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-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H32N4O2/c28-23(25-17-22-6-3-15-29-22)8-7-19-9-13-26(14-10-19)18-21-5-2-12-27(21)20-4-1-11-24-16-20/h1-2,4-5,11-12,16,19,22H,3,6-10,13-15,17-18H2,(H,25,28)/p+1/t22-/m1/s1