2-[[(1R)-2-(2-morpholin-4-ium-4-ylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(1R)-2-(2-morpholin-4-ium-4-ylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(1R)-2-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(1R)-2-(2-morpholin-4-ium-4-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)C[NH+]5CCOCC5

Isomeric SMILES

C1CN([C@H](C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)C[NH+]5CCOCC5

InChI

InChI=1S/C24H25N3O4/c28-22(16-25-11-13-31-14-12-25)26-10-9-17-5-1-2-6-18(17)21(26)15-27-23(29)19-7-3-4-8-20(19)24(27)30/h1-8,21H,9-16H2/p+1/t21-/m0/s1