(4S)-2-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3-chlorophenyl)-4-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c23-16-4-3-5-17(14-16)26-21(27)19-7-2-1-6-18(19)20(22(26)28)15-24-8-9-25-10-12-29-13-11-25/h1-7,14-15,20H,8-13H2/p+1/t20-/m1/s1