(2R)-4-methyl-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: (2R)-4-methyl-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-2-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: (2R)-4-methyl-N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-2-phenyl-piperazin-4-ium-1-carboxamide CAS Name: (2R)-4-methyl-N-(2-methyl-1,3-dioxo-5-isoindolyl)-2-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: (2R)-4-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-phenylpiperazin-4-ium-1-carboxamide Traditional Name: (2R)-N-(1,3-diketo-2-methyl-isoindolin-5-yl)-4-methyl-2-phenyl-piperazin-4-ium-1-carboxamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

InChI

InChI=1S/C21H22N4O3/c1-23-10-11-25(18(13-23)14-6-4-3-5-7-14)21(28)22-15-8-9-16-17(12-15)20(27)24(2)19(16)26/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,28)/p+1/t18-/m0/s1