3-(3-oxidanylidene-1H-isoindol-2-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1H-isoindol-2-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-(1-oxoisoindolin-2-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: 3-(3-oxo-1H-isoindol-2-yl)-N-[(3R)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(3-oxo-1H-isoindol-2-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(1-ketoisoindolin-2-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O2/c29-24(14-17-28-18-21-11-4-5-13-23(21)25(28)30)26-22-12-7-16-27(19-22)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11,13,22H,6-7,10,12,14-19H2,(H,26,29)/p+1/t22-/m1/s1