N-methyl-3-(3-oxidanylidene-1H-isoindol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O2/c1-26(22-11-7-15-27(19-22)16-13-20-8-3-2-4-9-20)24(29)14-17-28-18-21-10-5-6-12-23(21)25(28)30/h2-6,8-10,12,22H,7,11,13-19H2,1H3/p+1/t22-/m0/s1