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

Systemtic Name: (2R)-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: (2R)-2-(1-methylene-3-oxo-2-isoindolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O2/c1-17-21-10-6-7-11-22(21)24(29)27(17)18(2)23(28)25-20-12-14-26(15-13-20)16-19-8-4-3-5-9-19/h3-11,18,20H,1,12-16H2,2H3,(H,25,28)/p+1/t18-/m1/s1