3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: 3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H31N3O2/c27-23(25-16-21-5-2-14-28-21)7-6-18-9-12-26(13-10-18)17-20-4-1-3-19-15-24-11-8-22(19)20/h1,3-4,8,11,15,18,21H,2,5-7,9-10,12-14,16-17H2,(H,25,27)/p+1/t21-/m1/s1