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

Systemtic Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-2-phenyl-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-phenyl-4H-isoquinoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c27-22-20-10-5-4-9-19(20)21(23(28)26(22)18-7-2-1-3-8-18)17-24-11-6-12-25-13-15-29-16-14-25/h1-5,7-10,17,21H,6,11-16H2/p+1/t21-/m1/s1