(4R)-2-(4-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(4-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(4-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(4-bromophenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(4-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(4-bromophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H25BrN3O3+ MolecularWeight: 471.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O3/c24-17-6-8-18(9-7-17)27-22(28)20-5-2-1-4-19(20)21(23(27)29)16-25-10-3-11-26-12-14-30-15-13-26/h1-2,4-9,16,21H,3,10-15H2/p+1/t21-/m0/s1