(2S)-4-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pentanamide

Systemtic Name: (2S)-4-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pentanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-(1-oxoisoindolin-2-yl)pentanamide CAS Name: (2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]pentanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-ketoisoindolin-2-yl)-4-methyl-valeramide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H33N3O2/c1-19(2)16-24(29-18-21-10-6-7-11-23(21)26(29)31)25(30)27-22-12-14-28(15-13-22)17-20-8-4-3-5-9-20/h3-11,19,22,24H,12-18H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1