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

Systemtic Name: (4S)-2-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(3-chlorophenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(3-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3/c24-17-5-3-6-18(15-17)27-22(28)20-8-2-1-7-19(20)21(23(27)29)16-25-9-4-10-26-11-13-30-14-12-26/h1-3,5-8,15-16,21H,4,9-14H2/p+1/t21-/m1/s1