(4S)-2-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-fluorophenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4F

Isomeric SMILES

C1COCC[NH+]1CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O3/c24-20-8-3-4-9-21(20)27-22(28)18-7-2-1-6-17(18)19(23(27)29)16-25-10-5-11-26-12-14-30-15-13-26/h1-4,6-9,16,19H,5,10-15H2/p+1/t19-/m1/s1