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

Systemtic Name: (2S)-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-17(26-16-19-9-5-6-10-21(19)23(26)28)22(27)24-20-11-13-25(14-12-20)15-18-7-3-2-4-8-18/h2-10,17,20H,11-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1