(4R)-2-(2,5-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(2,5-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(2,5-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(2,5-dimethoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(2,5-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(2,5-dimethoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C25H30N3O5+ MolecularWeight: 452.5228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O5/c1-31-18-8-9-23(32-2)22(16-18)28-24(29)20-7-4-3-6-19(20)21(25(28)30)17-26-10-5-11-27-12-14-33-15-13-27/h3-4,6-9,16-17,21H,5,10-15H2,1-2H3/p+1/t21-/m0/s1