(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-propanamide

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-propanamide Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-propanamide CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-phenylpropanamide IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenylpropanamide Traditional Name: (2S)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-phenyl-2-phthalimido-propionamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O3/c1-25-14-12-18(13-15-25)26(2)24(30)21(16-17-8-4-3-5-9-17)27-22(28)19-10-6-7-11-20(19)23(27)29/h3-11,18,21H,12-16H2,1-2H3/p+1/t21-/m0/s1