2-(3,4-dimethylphenyl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-4-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]isoquinoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC[NH+]4CCOCC4)C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC[NH+]4CCOCC4)C2=O)C

InChI

InChI=1S/C24H27N3O3/c1-17-7-8-19(15-18(17)2)27-23(28)21-6-4-3-5-20(21)22(24(27)29)16-25-9-10-26-11-13-30-14-12-26/h3-8,15-16,25H,9-14H2,1-2H3/p+1