4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2-(phenylmethyl)isoquinoline-1,3-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c28-23-21-10-5-4-9-20(21)22(17-25-11-6-12-26-13-15-30-16-14-26)24(29)27(23)18-19-7-2-1-3-8-19/h1-5,7-10,17,25H,6,11-16,18H2/p+1